α, α,α,4-tetrachlorotoluene (CAS 5216-25-1) — Safety Data Sheet
Safety data sheet documentation for α, α,α,4-tetrachlorotoluene (CAS 5216-25-1), compiled to REACH Annex II with classification read against the harmonised entry in CLP Annex VI (H350, H361f, H312, H302). Two options: a working draft sent by e-mail immediately, or a signed card issued within 72 hours of complete input. The item supplied is a document — MolGod.org does not sell, supply or ship chemical substances.
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Section 9 — physicochemical properties: 3 of 22 established.
We show what is established and name what is not. Classification and identity are complete on every card; section 9 is where public data is thin.
Identity, structure, physical and chemical properties, analytical data and the literature — every value with the source it came from and the date that source was read. The full record is in the data sections further down this page.
Identity CAS · EC · IUPAC · synonyms · molecular formula · molecular weight
Structure 2D · 3D · SMILES · InChI · InChIKey
Physical melting point · boiling point · density · vapour pressure · solubility
Chemical reactivity · stability · incompatible materials
Analytical spectra and methods where available
References literature, with DOI where a DOI exists
Identifier coverage is shown as a count, not as a quality rating. It tells you how well characterised this substance is in public data — which is a different question from how good it is, and a more useful one when you are deciding whether the documentation behind it can be defended.
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Hazard statements the official text, in the page language
Precautionary statements combined statements reproduced whole, never split
Pictograms and signal word
Inventory status per jurisdiction, each stated individually
Restrictions entry and scope where one applies
Authorisation entry and sunset date where one applies
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Document status revision date and the amendment in force when issued
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A digital PDF safety data sheet in the sixteen-section structure of REACH Annex II (Regulation 1907/2006).
Substance identification, hazard classification, physicochemical, toxicological and ecological information, and regulatory references.
Classification read against the harmonised entry in CLP Annex VI where one exists for the substance.
A version number, a compilation date, and the source behind each value that carries one.
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What this is not
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Everything your compliance officer will ask for, in one file.
The product page as PDF — the record as published, so what you forward matches what you read.
The safety data sheet at your entitlement level — sixteen sections in the order set by REACH Annex II, for this substance, in the language you select.
The CLP label artwork — generated from the same classification as the sheet, so the two cannot disagree.
The specification, and the certificate of analysis where batch data exists.
sources.txt — every citation with the date it was read.
An explicit list of what we could not establish — fields marked unavailable rather than filled with an estimate. This is the honest part of the document and we do not hide it in a footnote.
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Modèle 3D 4-Chlorobenzotrichloride, CAS 5216-25-1, formule brute C7H4Cl4, masse molaire 229.9 g/mol
Données transcrites à partir de registres réglementaires et de la littérature spécialisée, avec indication de la source et de l'édition. Elles ne remplacent pas la fiche de données de sécurité du fournisseur. Les champs sans source enregistrée sont signalés comme tels.
PubChem. National Center for Biotechnology Information (NIH/NLM), chemical compound database. ↗
dotyczy: Formule brute · Masse moléculaire · LogP (lipophilie) · Nom IUPAC · SMILES · InChIKey
NIST. Chemistry WebBook, SRD 69. National Institute of Standards and Technology. ↗
dotyczy: Point d'ébullition
Khalepo AI, Veselovskaia KA, Lapina LM et al.. (1984). "[Determination of the MPEL for alpha, alpha, alpha-trichloro-4-chlorotoluene in the air of work areas].". Gigiena truda i professional'nye zabol
MOLECULE
Bibliographie par CAS (en direct depuis 13+ bases de données)
Sources : db:pubmed (1)
db:pubmed
Khalepo AI, Veselovskaia KA, Lapina LM et al.. (1984). "[Determination of the MPEL for alpha, alpha, alpha-trichloro-4-chlorotoluene in the air of work areas].". Gigiena truda i professional'nye zabolevaniia.
Statut réglementaire de la substance
Cette substance est soumise à des exigences réglementaires : gestion des déchets dangereux (BDO). Détails dans la section « Statut réglementaire (REACH/ECHA/CLP) » et sur la FDS. Information réglementaire — ne restreint pas l'achat dans la boutique.
🧮 Calculateur stœchiométrique
🧪 Données chimiques
Numéro CAS
5216-25-1
Formule brute
C7H4Cl4
Masse molaire
229.9 g/mol
Nom IUPAC (EN)
1-chloro-4-(trichloromethyl)benzene
SMILES
C1=CC(=CC=C1C(Cl)(Cl)Cl)Cl
InChIKey
LVZPKYYPPLUECL-UHFFFAOYSA-N
📡 Data sources
The data in this widget comes from the following verified scientific sources:
PubChem — National Center for Biotechnology Information (NCBI/NIH), USA
ChEMBL — European Bioinformatics Institute (EMBL-EBI), UK
NIST WebBook — National Institute of Standards and Technology, USA
Data is cached locally for speed — the widget also works offline.
⚗️ Physicochemical properties
Temp. wrzenia
245.1
Source: PubChem, NIST WebBook. Last updated: 2026-08-25
National Institute of Standards and Technology. 2024. "NIST Chemistry WebBook, SRD 69." Gaithersburg, MD: NIST. Accessed 2025-01-01. ↗
Spectral Database for Organic Structure Determination (SDBS). 2024. National Institute of Advanced Industrial Science and Technology (AIST), Japan. Accessed 2025-01-01. ↗
Ulrich, Eldon L., Hideo Akutsu, John F. Doreleijers, Yoko Harano, Yannis E. Ioannidis, Jundong Lin, Miron Livny, et al. 2008. "BioMagResBank." Nucleic Acids Research 36 (D1): D402–D408. [DOI ↗]
Horai, Hisayuki, Masanori Arita, Shigehiko Kanaya, Yoshito Nihei, Tasuku Ikeda, Kazuhiro Suwa, Yuya Ojima, et al. 2010. "MassBank: A Public Repository for Sharing Mass Spectral Data for Life Sciences." Journal of Mass Spectrometry 45 (7): 703–714. [DOI ↗]
Linstrom, P.J., and W.G. Mallard, eds. 2024. NIST Chemistry WebBook, NIST Standard Reference Database Number 69. Gaithersburg, MD: National Institute of Standards and Technology. ↗
McDonald, M. Shane, Mike McAvoy, and Ajit Bhalerao. 1988. "JCAMP-DX: A Standard Form for Exchange of Infrared Spectra in Computer Readable Form." Applied Spectroscopy 42 (1): 151–162. [DOI ↗]
PubChem. 2024. "PubChem Compound Database." National Library of Medicine, National Institutes of Health. Accessed 2025-01-01. ↗
📊Bases de données de spectres spectroscopiques — données inline9 sources
Les spectres sont récupérés à la demande depuis 9 sources. Chaque spectre est enregistré dans notre base — la prochaine ouverture = zéro requête vers l'API externe. Téléchargez JCAMP-DX / CSV / PNG pour chaque spectre sans avoir à chercher.
Les données sont récupérées une seule fois (analyseur JCAMP-DX) et enregistrées dans la base locale de l'extension. Aucun téléchargement en double, aucune requête NIST lors des ouvertures suivantes. Licences respectées (seuls un lien profond et notre propre visualisation sont publiés).
Données récupérées en direct depuis plusieurs sources (priority-chain). JCAMP-DX / CSV / PNG disponibles au téléchargement sous chaque spectre. ⓘ Source unique ★★☆☆☆ⓘ Source unique ★★☆☆☆
IR — infrarouge à transformée de Fourier
Chargement de IR — infrarouge à transformée de Fourier…
MS — spectrométrie de masse (EI 70eV)
Chargement de MS — spectrométrie de masse (EI 70eV)…
🧮 Comparaison DFT vs expérience (IR)
Superposition du spectre IR expérimental sur le spectre calculé théoriquement par la méthode B3LYP/6-31G* (facteur d'échelle 0.9614, Scott & Radom 1996).
Becke, Axel D. 1993. "Density-Functional Thermochemistry. III. The Role of Exact Exchange." Journal of Chemical Physics 98 (7): 5648–5652. Définition de la fonctionnelle B3LYP.
Scott, Anthony P., and Leo Radom. 1996. "Harmonic Vibrational Frequencies: An Evaluation of Hartree–Fock, Møller–Plesset, Quadratic Configuration Interaction, Density Functional Theory, and Semiempirical Scale Factors." Journal of Physical Chemistry 100 (41): 16502–16513. Facteurs d'échelle pour la DFT (p. ex. 0.9614 pour B3LYP/6-31G*).
Merrick, Jeffrey P., Damian Moran, and Leo Radom. 2007. "An Evaluation of Harmonic Vibrational Frequency Scale Factors." Journal of Physical Chemistry A 111 (45): 11683–11700. Mise à jour de Scott & Radom — facteurs d'échelle pour des fonctionnelles DFT plus récentes.
Lee, Chengteh, Weitao Yang, and Robert G. Parr. 1988. "Development of the Colle-Salvetti Correlation-Energy Formula into a Functional of the Electron Density." Physical Review B 37 (2): 785–789. Corrélation LYP — complément à Becke 1993 pour B3LYP.
Hehre, Warren J., Robert Ditchfield, and John A. Pople. 1972. "Self-Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian-Type Basis Sets." Journal of Chemical Physics 56 (5): 2257–2261. Définition de la base 6-31G* (split-valence + polarisation).
Johnson, Russell D., III, ed. 2022. "NIST Computational Chemistry Comparison and Benchmark Database (CCCBDB)." NIST Standard Reference Database 101, Release 22. https://cccbdb.nist.gov. Benchmark pour les valeurs théoriques — lien de secours dans le widget.
Cramer, Christopher J. 2004. "Essentials of Computational Chemistry: Theories and Models." 2nd ed. Chichester: Wiley. Manuel des méthodes DFT et du calcul des fréquences de vibration.
Jensen, Frank. 2017. "Introduction to Computational Chemistry." 3rd ed. Chichester: Wiley. Chimie computationnelle moderne — jeux de bases et méthodes pour les spectres vibrationnels.
Foresman, James B., and Æleen Frisch. 2015. "Exploring Chemistry with Electronic Structure Methods." 3rd ed. Wallingford, CT: Gaussian, Inc. Guide pratique Gaussian — IR + Raman + NMR par DFT.
🎓 Guide d'interprétation des spectres (pour étudiants)
An explanation of every band in the spectrum — why it appears where it does, and what it shows about the structure.
IR (infrarouge) (5 pics)
Widmo IR (infrarouge) zawiera 5 zidentyfikowanych strukturalnie pasm (z 11 wykrytych łącznie: 6 poza rozpoznawanymi zakresami). Poniższa analiza tłumaczy, co każde z nich znaczy strukturalnie i dlaczego pojawia się w danym zakresie.
C=C aromatic ring stretcharomatic● high
La bande "C=C aromatic ring stretch" apparaît dans les cas suivants : 1,594.0 cm⁻¹ (faible (w)). Les bandes C=C aromatiques à 1450–1600 cm⁻¹ plus les bandes hors du plan (out-of-plane) à 690–900 cm⁻¹ permettent de déterminer le motif de substitution (ortho/méta/para).
C–H out-of-plane bend (aromatic substitution pattern)aromatic_sub● medium
La bande "C–H out-of-plane bend (aromatic substitution pattern)" apparaît dans les cas suivants : 698.0 cm⁻¹ (faible (w)), 770.0 cm⁻¹ (forte (s)), 810.0 cm⁻¹ (forte (s)). Le groupe fonctionnel est identifié sur la base de sa plage caractéristique (Pavia/Silverstein) — le mécanisme physique précis dépend des plus proches voisins chimiques.
📚 Bibliographie (Chicago)
Field, Leslie D., Sev Sternhell, and John R. Kalman. 2013. "Organic Structures from Spectra." 5th ed. Chichester: Wiley. Un manuel d'exercices pour étudiants (compagnon du guide d'interprétation).
Williams, Dudley H., and Ian Fleming. 2008. "Spectroscopic Methods in Organic Chemistry." 6th ed. London: McGraw-Hill. Un classique de l'interprétation narrative des spectres — explique "pourquoi le pic est ici".
Crews, Phillip, Jaime Rodríguez, and Marcel Jaspars. 2009. "Organic Structure Analysis." 2nd ed. New York: Oxford University Press. Un flux de travail pour l'interprétation structurale multiparamétrique.
McLafferty, Fred W., and František Tureček. 1993. "Interpretation of Mass Spectra." 4th ed. Mill Valley, CA: University Science Books. Mécanismes de fragmentation MS — réarrangement de McLafferty, m/z 29 = CHO.
Reusch, William. 2013. "Virtual Textbook of Organic Chemistry: Spectroscopy." East Lansing, MI: Michigan State University. https://www2.chemistry.msu.edu/faculty/reusch/VirtTxtJml/Spectrpy/spectro.htm. Un guide didactique ouvert sur IR/NMR/MS/UV — idéal pour expliquer les groupes fonctionnels.
Hesse, Manfred, Herbert Meier, and Bernd Zeeh. 2007. "Spektroskopische Methoden in der organischen Chemie." 8th ed. Stuttgart: Thieme. Le manuel de référence allemand sur l'interprétation des spectres.
Lampman, Gary M., Donald L. Pavia, George S. Kriz, and James R. Vyvyan. 2010. "Spectroscopy." 4th ed. Belmont, CA: Cengage Learning. Un cahier d'exercices avec des explications interprétatives intégrées.
Kalsi, P. S. 2010. "Spectroscopy of Organic Compounds." 6th ed. New Delhi: New Age International. Un manuel complet sur l'interprétation des spectres IR/NMR/MS/UV.
🔎 Recherche par spectre (JCAMP-DX)
Téléversez un fichier JCAMP-DX (.jdx, .dx, .jcm) — le système calculera la similarité cosinus par rapport à tous les spectres de la base de données et affichera les TOP 10 correspondances.
📚 Bibliographie (Chicago)
McLafferty, Fred W., ed. 2018. Wiley Registry of Mass Spectral Data. 11th ed. Hoboken, NJ: Wiley. Une bibliothèque MS de référence (~775k spectres).
Stein, Stephen E., and Donald R. Scott. 1994. "Optimization and Testing of Mass Spectral Library Search Algorithms for Compound Identification." Journal of the American Society for Mass Spectrometry 5 (9): 859–866. L'algorithme cosine + dot-product de NIST MS Search.
McDonald, Robert S., and Paul A. Wilks Jr. 1988. "JCAMP-DX: A Standard Form for Exchange of Infrared Spectra in Computer Readable Form." Applied Spectroscopy 42 (1): 151–162. La spécification JCAMP-DX (étendue à 5.01 pour NMR/MS).
McLafferty, Fred W., and František Tureček. 1993. "Interpretation of Mass Spectra." 4th ed. Mill Valley, CA: University Science Books. Appariement par similarité cosinus et fragmentation MS — le fondement de l'algorithme de recherche.
Sumner, Lloyd W., Alexander Amberg, Dave Barrett, Michael H. Beale, Richard Beger, Clare A. Daykin, Teresa W.-M. Fan, et al. 2007. "Proposed Minimum Reporting Standards for Chemical Analysis." Metabolomics 3 (3): 211–221. MSI Level 1-4 — normes de niveau de confiance pour l'appariement spectral.
Stein, Stephen E. 1999. "An Integrated Method for Spectrum Extraction and Compound Identification from Gas Chromatography/Mass Spectrometry Data." Journal of the American Society for Mass Spectrometry 10 (8): 770–781. L'algorithme AMDIS — déconvolution + library match (NIST).
Lindon, John C., George E. Tranter, and David W. Koppenaal, eds. 2017. "Encyclopedia of Spectroscopy and Spectrometry." 3rd ed. Amsterdam: Academic Press. Entrées encyclopédiques sur la recherche en bibliothèque spectrale.
Smith, Brian C. 2011. "Fundamentals of Fourier Transform Infrared Spectroscopy." 2nd ed. Boca Raton, FL: CRC Press. FT-IR et le format JCAMP-DX pour les spectres de transmission.
Larkin, Peter. 2017. "Infrared and Raman Spectroscopy: Principles and Spectral Interpretation." 2nd ed. Amsterdam: Elsevier. Principes de l'appariement en bibliothèque IR/Raman et du prétraitement des pics.
Propriétés structurelles
Chargement des données structurelles...
❓ Questions fréquentes (3)
What is 5216-25-1?
5216-25-1 (CAS 5216-25-1) is a chemical compound. The chemical data comes from PubChem (National Institutes of Health, USA).
Utile ?
What is the CAS number of 5216-25-1?
The CAS number for 5216-25-1 is 5216-25-1. A CAS Registry Number is the standard identifier for a chemical substance in scientific literature and in trade.
Utile ?
How should 5216-25-1 be stored?
5216-25-1 should be stored as its safety data sheet directs \— typically in a dry, cool, well-ventilated place, away from heat and from materials it is incompatible with.
Utile ?
➕ Proposer une question
Télécharger les fichiers de structure
Fichiers de structure moléculaire issus de la base PubChem (NIH). Compatibles avec les logiciels : Avogadro, PyMOL, Jmol, ChemDraw.
Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
g/L ↔ molarity
c (mol/L) = (g/L) / MW
±0.1% (depends on MW precision)
Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
mmol/L ↔ molarity
c (mol/L) = mmol/L × 10⁻³
Exact
Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
Celsius ↔ Kelvin
T(K) = t(°C) + 273.15
±0.01 K (ITS-90 scale)
BIPM (Bureau International des Poids et Mesures) (2019)
Celsius ↔ Fahrenheit
T(°F) = T(°C) × 9/5 + 32
±0.1 °F
Thompson A, Taylor BN (2008)
density-corrected % ↔ molarity
c (mol/L) = (%w/w × ρ × 10) / MW, ρ in g/mL
±0.1% when ρ known to 3 decimals
Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007)
📚 Bibliographie (8 sources faisant autorité)
Thompson A, Taylor BN (2008). Guide for the Use of the International System of Units (SI). NIST Special Publication 811 · DOI: 10.6028/NIST.SP.811-2008 → Primary SI standard for US scientific usage
Cohen ER, Cvitaš T, Frey JG, Holmström B, Kuchitsu K, Marquardt R, Mills I, Pavese F, Quack M, Stohner J, Strauss HL, Takami M, Thor AJ (2007). Quantities, Units and Symbols in Physical Chemistry — The IUPAC Green Book. RSC Publishing, 3rd ed. · DOI: 10.1039/9781847557889 · ISBN: 978-0-85404-433-7 → Canonical IUPAC guide for chemistry quantities/units
BIPM (Bureau International des Poids et Mesures) (2019). The International System of Units (SI), 9th edition. BIPM · ↗ → International SI definitions (incl. redefined kilogram 2019)
ISO/IEC (2022). Quantities and units — Part 1: General. International Organization for Standardization — ISO 80000-1:2022 · ↗ → General rules for physical quantities and units
ISO/IEC (2019). Quantities and units — Part 9: Physical chemistry and molecular physics. International Organization for Standardization — ISO 80000-9:2019 · ↗ → Concentration / molality / amount-of-substance conventions
Tiesinga E, Mohr PJ, Newell DB, Taylor BN (2021). CODATA recommended values of the fundamental physical constants: 2018. Rev. Mod. Phys. 93(2):025010 · DOI: 10.1103/RevModPhys.93.025010 → Avogadro, gas constant, molar volume (2019 SI revision)
IUPAC (2019). Compendium of Chemical Terminology — the IUPAC Gold Book (online). IUPAC · DOI: 10.1351/goldbook → Definitions of mass fraction, molality, normality, ppm, activity
Mills IM, Cvitaš T, Homann K, Kallay N, Kuchitsu K (1988). Quantities, Units and Symbols in Physical Chemistry. Blackwell Scientific Publications, 1st ed. · ISBN: 0-632-01773-5 → Historical predecessor of IUPAC Green Book
Avis sur les limitations des données. Les informations de sécurité figurant sur cette page sont fournies à titre indicatif et ne remplacent pas une fiche de données de sécurité (SDS) complète. Avant d'utiliser le produit, consultez la fiche de données de sécurité actuelle du fabricant ainsi que les directives GHS/CLP. La classification CLP s'applique à la substance pure en vrac, et non aux préparations commerciales.
H372 — Risque avéré d'effets graves pour les organes à la suite d'expositions répétées ou d'une exposition prolongée.
H315 — Provoque une irritation cutanée.
🛡 Conseils de prudence (P)
P203 — Se procurer, lire et suivre toutes les instructions de sécurité avant l’utilisation.
P260 — Ne pas respirer les poussières/fumées/gaz/brouillards/vapeurs/aérosols.
✓ Classification harmonisée conformément à l'annexe VI du règlement CLP (CE) 1272/2008 (classification officielle, contraignante). Numéro d'index : 602-093-00-9.
Référence (Chicago) : European Chemicals Agency. "α, α,α,4-tetrachlorotoluene; p-chlorobenzotrichloride, Index No. 602-093-00-9." In Table 3 of Annex VI to Regulation (EC) No 1272/2008 (CLP Regulation), 23rd Adaptation to Technical Progress (harmonised list as of 2026-07-07). Helsinki: European Chemicals Agency, 2026. https://echa.europa.eu/information-on-chemicals/annex-vi-to-clp.
Traductions : Règlement CLP (CE) 1272/2008, Annexe III et IV. Données : PubChem/NLM.
☢️ Données toxicologiques (IARC + EPA CTX)
🧬 Classification de cancérogénicité IARC
Classification IARC :
⚠️ Aucune entrée IARC individuelle pour ce CAS
UWAGA: substancja sklasyfikowana jako rakotwórcza wg ECHA CLP (Carc. 1B, H350, H361f) — patrz sekcja CMR poniżej. Brak monografii IARC nie oznacza braku rakotwórczości.
ℹ️ Notifications GHS des fournisseurs (auto-classification — non contraignantes)
Les codes ci-dessous sont des auto-classifications supplémentaires des fournisseurs (auto-classification, notifications ECHA C&L / PubChem) — un complément à la classification harmonisée contraignante de l'Annexe VI ci-dessus ; elles peuvent être redondantes.
Mention d'avertissement la plus élevée signalée : Danger
(selon les déclarations des notifiants, non contraignant)
Khalepo AI, Veselovskaia KA, Lapina LM et al.. (1984). "[Determination of the MPEL for alpha, alpha, alpha-trichloro-4-chlorotoluene in the air of work areas].". Gigiena truda i professional'nye zabolevaniia.
International Agency for Research on Cancer (IARC). 2024. "IARC Monographs on the Identification of Carcinogenic Hazards to Humans." Lyon: IARC. 🔗
U.S. EPA. 2024. "ECOTOX Knowledgebase." Washington, DC: U.S. Environmental Protection Agency. 🔗
ECHA. 2024. "Chemical Safety Assessment." European Chemicals Agency. 🔗
U.S. National Toxicology Program. 2024. Report on Carcinogens. 15th ed. Research Triangle Park, NC: National Institute of Environmental Health Sciences. 🔗
GESTIS. 2024. "GESTIS Substance Database." Institute for Occupational Safety and Health of the German Social Accident Insurance (DGUV). 🔗
U.S. EPA. 2024. "CompTox Chemicals Dashboard." Washington, DC: U.S. Environmental Protection Agency. 🔗
ECHA. 2023. "Regulation (EC) No 1272/2008 on Classification, Labelling and Packaging of Substances and Mixtures (CLP), Annex VI — Harmonised Classification." European Chemicals Agency. 🔗
Leist, Marcel, et al. 2014. "Consensus Report on the Future of Animal-Free Systemic Toxicity Testing." ALTEX 31 (3): 341–356. [DOI]
Hartung, Thomas. 2009. "Toxicology for the Twenty-First Century." Nature 460 (7252): 208–212. [DOI]
Lenga, Robert E., ed. 2008. The Sigma-Aldrich Library of Chemical Safety Data. 2nd ed. Milwaukee: Sigma-Aldrich.
Slikker, William Jr., et al. 2004. "Dose-Dependent Terminal and Tissue Residues After Chronic Exposure." Toxicological Sciences 81 (2): 253–279. [DOI]
Calabrese, Edward J., and Linda A. Baldwin. 2003. "Toxicology Rethinks Its Central Belief." Nature 421 (6924): 691–692. [DOI]
Hodge, Harold C., and J. Harvey Sterner. 1949. "Tabulation of Toxicity Classes." American Industrial Hygiene Association Quarterly 10 (4): 93–96. [DOI]
🚨 Procédure d'urgence — déversement de produits chimiquesDanger pour la santé
CAS 5216-25-1GHS:H350H361fH312H302H335H372H315💨 Ventilation
🥽 EPI — Équipement de protection individuelle
Lunettes de protection:Oui
Combinaison:blouse de laboratoire
Protection respiratoire:filtre type A2 (vapeurs organiques) — EN 14387:2004+A1:2008
📦 Petit déversement (<1L) — absorbant : minéral inerte (vermiculite)
⚠️ Procédure GÉNÉRIQUE dérivée de la classification GHS (aucune donnée curée pour ce CAS). Utilisez toujours la fiche de données de sécurité (FDS) actuelle du fournisseur.
1. Minimiser l'exposition — restreindre l'accès des personnes non autorisées.
2. EPI complet + protection des voies respiratoires ; pas de formation de poussière/vapeur.
3. Récipient étanche et étiqueté.
4. Lavez la zone à l'eau ; traitez les résidus et l'absorbant comme un déchet dangereux.
Propriétés supplémentaires issues du GHS :
• irritant — éviter le contact avec la peau/les yeux et l'inhalation de poussière
🛢️ Grand déversement (>1L) ⚠️ Matière dangereuse
1. Évacuer ; accès uniquement en EPI complet avec protection des voies respiratoires.
2. Endiguer ; éviter la dispersion ; suivre la procédure interne pour les substances CMR/STOT.
3. Collectez mécaniquement dans un conteneur UN étiqueté ; remettez à une entreprise agréée (BDO).
4. Signaler l'incident conformément à la procédure HSE ; en cas de rejet dans l'environnement, notifier le WIOŚ.
🩹 Premiers secours
🧴 Peau
1. Retirez les vêtements contaminés.
2. Rincez la peau abondamment à l'eau pendant ≥15 min.
3. La substance peut être absorbée par la peau — surveillez les symptômes / médecin.
👁️ Yeux
1. Rincez à l'eau ≥15 min, paupières écartées ; retirez les lentilles de contact.
2. Ophtalmologiste en cas d'irritation persistante.
🫁 Inhalation
1. Transportez à l'air frais, position confortable.
2. En cas de difficulté respiratoire — oxygène / médecin.
🍽️ Ingestion
1. Rincer la bouche à l'eau ; NE PAS faire vomir.
2. Centre antipoison : +48 42 631 47 24.
🌍 Environnement :
Eau : Moyenne; Sol : Faible; ❌ Ne pas rejeter dans les égouts; Code déchet : 16 05 06*
European Chemicals Agency (ECHA). 2020. Guidance on the Compilation of Safety Data Sheets — Section 6: Accidental Release Measures. ECHA.
[lien ↗]
European Parliament and Council. 2008. Regulation (EC) No 1272/2008 (CLP) — Hazard classes and H-statements. Official Journal of the European Union L 353.
[lien ↗]
National Institute for Occupational Safety and Health (NIOSH). 2023. Pocket Guide to Chemical Hazards — NIOSH Pocket Guide to Chemical Hazards. CDC.
[lien ↗]
U.S. Occupational Safety and Health Administration. 2024. 29 CFR 1910.120 — Hazardous Waste Operations and Emergency Response (HAZWOPER). U.S. Code of Federal Regulations.
[lien ↗]
National Fire Protection Association. 2018. NFPA 472: Standard for Competence of Responders to Hazardous Materials/Weapons of Mass Destruction Incidents. NFPA.
[lien ↗]
European Parliament and Council. 2012. Directive 2012/18/EU on the Control of Major-Accident Hazards Involving Dangerous Substances (Seveso III). Official Journal of the European Union L 197: 1–37.
[lien ↗]
U.S. National Institute for Occupational Safety and Health. 2024. NIOSH Pocket Guide to Chemical Hazards. Centers for Disease Control and Prevention.
[lien ↗]
European Chemicals Agency. 2020. Guidance on the Compilation of Safety Data Sheets (SDS), Version 3.1. ECHA.
[lien ↗]
Sources : Classification GHS/CLP (PubChem/FDS) — solution de repli générique · ECHA Guidance on SDS (sect. 6) · NIOSH Pocket Guide.
Données indicatives — en cas d'urgence, suivez toujours les instructions du fournisseur + la réglementation locale en matière de santé et sécurité au travail (SST).
⚠️ Guide visuel des EPI (équipements de protection individuelle)Irritant
🧤 Gants
Nitrile standard >0.1 mm EN 374-1 typ C
Protection standard contre l'irritation cutanée
👁️ Lunettes de sécurité / Lunettes-masque
EN 166 D
Protection contre les particules solides et les gouttelettes ; catégorie de base
🥼 Blouse / combinaison
Blouse de laboratoire en coton standard EN 13688
Manche longue boutonnée standard
💨 Ventilation
4 ACH(air changes/hour) Ventilation générale du laboratoire
4 ACH minimum pour les opérations ouvertes ; hotte aspirante pour les poussières concentrées
📚 Références scientifiques (Chicago Author-Date)
European Committee for Standardization (CEN). 2016. EN 374-1:2016 — Protective gloves against dangerous chemicals and micro-organisms — Part 1: Terminology and performance requirements for chemical risks. CEN, Brussels. EN 374-1:2016. [link ↗] — Classification des gants résistants aux produits chimiques type A/B/C ; tests de perméation JKLPT
European Committee for Standardization (CEN). 2001. EN 166:2001 — Personal eye-protection — Specifications. CEN, Brussels. EN 166:2001. [link ↗] — Marquages : B = énergie d'impact moyenne, T = températures extrêmes, 9 = métaux fondus et solides
European Committee for Standardization (CEN). 2009. EN 14605:2005+A1:2009 — Protective clothing against liquid chemicals — Performance requirements for clothing with liquid-tight (Type 3) or spray-tight (Type 4) connections. CEN, Brussels. EN 14605:2009. [link ↗] — Type 3 (jet-tight) et Type 4 (spray-tight) — protection contre les produits chimiques liquides
National Institute for Occupational Safety and Health (NIOSH). 2017. Recommendations for Chemical Protective Clothing: A Companion to the NIOSH Pocket Guide. U.S. Department of Health & Human Services / CDC. [link ↗] — Guide pratique de sélection des CPC par substance et scénario d'exposition
Occupational Safety and Health Administration (OSHA). 2011. Personal Protective Equipment — General requirements. U.S. Department of Labor — 29 CFR 1910.132. 29 CFR 1910.132. [link ↗] — L'employeur doit fournir des EPI + une formation + une évaluation des risques documentée par écrit
📋 Conformité réglementaire (liste de contrôle de conformité)Danger pour la santé2 requis7 éléments
ℹ️ Liste de contrôle des obligations réglementaires pour CAS 5216-25-1.
Statut basé sur : ADR 2025 (Tableau A), REACH Annexe XVII, CLP Annexe VI (classification harmonisée), hazard class de m14-spill DB, SVHC, GIS et VLEP PL. Principe : absence de données = absence d'affirmation (NOUS ne déclarons pas « absence de restrictions » sans fondement).
✅FDS (fiche de données de sécurité) disponiblesatisfait
Comment assurer la conformité : Exigence : FDS à jour conforme au Règl. 1907/2006 (REACH) Annexe II, format à 16 sections.
Base légale : Regulation (EC) 1907/2006 (REACH) Art. 31 + Annex II
Comment assurer la conformité : L'étiquette doit comporter : pictogrammes GHS, mention d'avertissement (Danger/Attention), mentions de danger (H) et conseils de prudence (P), coordonnées du fabricant. Obligatoire depuis 2010 (substances) et 2015 (mélanges). Pour cette substance, une CLASSIFICATION HARMONISÉE s'applique (CLP annexe VI) — voir ci-dessous ; elle prime sur l'auto-classification.
Base légale : Regulation (EC) 1272/2008 (CLP) Art. 17-33 + Annex VI (klasyfikacja zharmonizowana)
Comment assurer la conformité : Aucune donnée ADR dans le jeu de données MOL-GOD pour ce numéro CAS. Ne supposez PAS l'absence de restrictions — avant l'expédition, vérifiez la classification de transport dans l'ADR 2025 (Tableau A) ainsi que dans la section 14 de la fiche de données de sécurité (SDS).
Base légale : Umowa europejska ADR 2025 + Ustawa z 19 sierpnia 2011 r. o przewozie towarów niebezpiecznych
Comment assurer la conformité : Les importateurs/fabricants ≥1 tonne/an doivent enregistrer la substance auprès de l'ECHA (dossier technique + Chemical Safety Report si ≥10 t). Consultez ECHA Annex VI / registered substances list.
Base légale : Regulation (EC) 1907/2006 (REACH) Art. 5-22
Comment assurer la conformité : Statut SVHC non vérifié dans le jeu de données disponible — consulter la liste des substances candidates de l'ECHA à jour ; ne pas présumer l'absence d'entrée.
Base légale : REACH Art. 7(2) + 33 — SVHC notification + communication
▣Annexe XVII REACH (restrictions d'utilisation/commercialisation)requis
Comment assurer la conformité : Substance soumise à restriction REACH Annexe XVII (pos. 28–30) : CMR category 1A/1B — not for supply to the general public (professional users only). Vérifiez les conditions de mise sur le marché/utilisation et le message dans la SDS sec. 15.
Base légale : Regulation (EC) 1907/2006 (REACH) Annex XVII — ograniczenia produkcji/obrotu/stosowania
⚠️ REACH Annexe XVII (entrée 28–30) : CMR category 1A/1B — not for supply to the general public (professional users only).
European Parliament and Council. 2008. Regulation (EC) No 1272/2008 on classification, labelling and packaging of substances and mixtures (CLP). Official Journal of the European Union L 353/1. CLP Regulation 1272/2008. [link ↗] — Classification, étiquetage et emballage des substances + mélanges (mise en œuvre du GHS dans l'UE)
European Parliament and Council. 2006. Regulation (EC) No 1907/2006 concerning the Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH). Official Journal of the European Union L 396/1. REACH Regulation 1907/2006. [link ↗] — REACH — enregistrement, évaluation et autorisation des produits chimiques ; SVHC ; SDS Annexe II
Ministerstwo Rodziny i Polityki Społecznej Rzeczypospolitej Polskiej. 2024. Rozporządzenie Ministra Rodziny i Polityki Społecznej z dnia 4 września 2024 r. w sprawie najwyższych dopuszczalnych stężeń i natężeń czynników szkodliwych dla zdrowia w środowisku pracy. Dziennik Ustaw RP 2024 poz. 1017. [link ↗] — VLEP et VLEPc pour ~600 substances chimiques — limites polonaises actuelles d'exposition professionnelle
United Nations Economic Commission for Europe (UNECE). 2025. European Agreement concerning the International Carriage of Dangerous Goods by Road (ADR), 2025 Edition. United Nations, Geneva. ADR 2025. [link ↗] — Accord international relatif au transport routier des marchandises dangereuses — numéros ONU, classes, emballages
📚 Références scientifiques consolidées — Chicago auteur-date 10 sources
Références collectées dans tous les onglets du Safety Hub. CAS : 5216-25-1 ·
PubChem ↗
Parlament Europejski i Rada UE. 2008. "Regulation (EC) nr 1272/2008 w sprawie klasyfikacji, oznakowania i pakowania substancji (CLP)." Dz.Urz. UE L 353. [↗]
GHS, Réglementations
United Nations Economic Commission for Europe (UNECE). 2021. "Globally Harmonized System of Classification and Labelling of Chemicals (GHS), Ninth Revised Edition." United Nations, Geneva. [↗]
GHS
Goldfrank, Lewis R., Robert S. Hoffman, Mary Ann Howland, et al.. 2019. "Goldfrank's Toxicologic Emergencies, 11th ed.." McGraw-Hill Education, New York. ISBN 978-1-25-985961-8.
Pierwsza pomoc, Toksykologia
National Institute for Occupational Safety and Health (NIOSH). 2023. "NIOSH Pocket Guide to Chemical Hazards (DHHS Publ. 2005-149)." U.S. Department of Health and Human Services / CDC, Cincinnati, OH. [↗]
Pierwsza pomoc, PPE, Toksykologia
European Committee for Standardization (CEN). 2016. "EN 374-1:2016 — Protective gloves against dangerous chemicals and micro-organisms." CEN, Brussels. [↗]
PPE
UNECE. 2023. "European Agreement Concerning the International Carriage of Dangerous Goods by Road (ADR 2025)." United Nations, Geneva. [↗]
Utylizacja, Regulacje
National Fire Protection Association (NFPA). 2022. "NFPA 400 — Hazardous Materials Code." NFPA, Quincy, MA. [↗]
Magazynowanie
Urben, P.G. (ed.). 2017. "Bretherick's Handbook of Reactive Chemical Hazards, 8th ed.." Butterworth-Heinemann / Elsevier, Oxford. [↗]
Magazynowanie
Ministerstwo Klimatu i Środowiska RP. 2023. "Baza danych o produktach i opakowaniach oraz o gospodarce odpadami (BDO)." Ministerstwo Klimatu i Środowiska, Warszawa. [↗]
Utylizacja
International Agency for Research on Cancer (IARC / WHO). 2024. "IARC Monographs on the Identification of Carcinogenic Hazards to Humans — List of Classifications." WHO, Lyon. [↗]
Toksykologia
Les onglets possédant leurs propres références (Emergency, PPE, Storage, Waste) contiennent des entrées bibliographiques supplémentaires au sein de leurs sections respectives.
Collez une série de mesures répétées (CSV ou un nombre par ligne). Le calculateur calculera la moyenne, l'écart-type, l'IC à 95 %, et détectera les valeurs aberrantes (Grubbs + Dixon Q).
Séparateur : virgule, espace, tabulation, nouvelle ligne. Min. 3 mesures.
📅Project Planner — Gestionnaire d'expériences de laboratoireNOUVEAU
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💡 Connectez-vous pour enregistrer des projets.
Sans connexion, vous pouvez calculer mais pas enregistrer.
🧪 Solubilité et compatibilité avec les solvants
Molécule
4-Chlorobenzotrichloride
Formule
C7H4Cl4
logP (XLogP3)
4.60
Masse (g/mol)
229.9
Polarité
Hydrophobe (apolaire)
⚠️ Estimation GC (Hoftyzer-Van Krevelen). Aucune donnée HSP de la littérature pour ce CAS — précision ±2 MPa½. À vérifier expérimentalement.
Solvent compatibility table not available for this substance.
The Hansen parameters fall outside the range of the method, so the distance Ra cannot be calculated, and the database holds no solubility measurement to put in its place. Rather than eleven ratings with nothing behind them, we show none. Base the solvent choice on the safety data sheet and on experimental data.
Théorie de la solubilité (appliquée à la prédiction de la compatibilité) :
Yalkowsky, Samuel H., and Shri C. Valvani. 1980. "Solubility and Partitioning I: Solubility of Nonelectrolytes in Water." Journal of Pharmaceutical Sciences 69 (8): 912–922. https://doi.org/10.1002/jps.2600690814 — General Solubility Equation (GSE): logS = 0.5 − logP − 0.01(MP−25).
Hansen, Charles M. 2007. Hansen Solubility Parameters: A User's Handbook. 2nd ed. CRC Press. https://doi.org/10.1201/9781420006834 — Triplet HSP (dD, dP, dH) + formule Ra.
Stefanis, E., and C. Panayiotou. 2008. "Prediction of Hansen Solubility Parameters with a New Group-Contribution Method." Int J Thermophys 29: 568–585. https://doi.org/10.1007/s10765-008-0415-z
Reichardt, Christian, and Thomas Welton. 2011. Solvents and Solvent Effects in Organic Chemistry. 4th ed. Wiley-VCH. https://doi.org/10.1002/9783527632220 — E_T(30) polarity scale, solwatochromia.
Snyder, Lloyd R., Joseph J. Kirkland, and John W. Dolan. 2010. Introduction to Modern Liquid Chromatography. 3rd ed. Wiley. https://doi.org/10.1002/9780470508183 — Eluotropic series, polarity index.
Van Krevelen, D. W., and K. Te Nijenhuis. 2009. Properties of Polymers. 4th ed. Elsevier. https://doi.org/10.1016/B978-0-08-054819-7.X0001-5 — Hoftyzer–Van Krevelen group contribution dla dD/dP/dH z SMILES.
Marcus, Yizhak. 1998. The Properties of Solvents. Wiley Series in Solution Chemistry, Vol. 4. ISBN 9780471983699 — Ensemble tabulaire complet de 250+ solvants (ε, μ, donicité, nombres accepteurs).
PubChem Compound Database — CAS 5216-25-1 lookup ↗ — logP (XLogP3), water solubility experimental + predicted.
Bibliographie complète dans l'accordéon RÉFÉRENCES (en bas de la page) — Chicago Manual of Style 17th ed., Author-Date.
🧮 Calculateur de solubilité
Solubilité :—
logS:—
Méthode :—
⚠️ —
Solubilité vs température
🌐 Hansen Solubility Sphere (3D)
⚠️ The Hansen parameters for this substance fall outside the range of the method.
At least one of the δD/δP/δH parameters fell outside the domain of validity of the group contribution method (Hoftyzer–Van Krevelen), so the position of the molecule in Hansen space is unknown. The distance Ra is measured FROM THAT POINT — it cannot be calculated without knowing the point. The sphere and the distance table have been omitted rather than filled with numbers that have nothing behind them. Where a solubility measurement exists, it is shown in the table below.
🧪Assistant de préparation de solution (Smart Prep)
Saisissez ce que vous souhaitez préparer — je générerai un SOP
Exemples ci-dessous — cliquez pour insérer :
Recettes prédéfinies :
📚 Aperçu de la littérature scientifique — CAS 5216-25-1
🎯 Sujets de recherche connexes (TF-IDF)7 tags
📊 Thèmes extraits automatiquement à partir des résumés de 1 publications pour CAS 5216-25-1.
Algorithme : TF-IDF (Salton & Buckley 1988) — fréquence du terme × fréquence inverse de document.
📊 Graf citations pour CAS 5216-25-1.
Chaque nœud = un article scientifique, une arête A→B = l'article A cite B. Données d'OpenAlex (Priem 2022).
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Why this page can be checked
Identity
CAS, EC and molecular formula, resolved across the identifier systems a buyer uses. The count of systems resolved is shown, so you can see how well characterised this substance is rather than assuming.
Data
Every physicochemical value carries the source it came from and the date that source was read. Open any of them.
Classification
Read against the harmonised entry where one exists, with the index number stated. Self-classification is shown separately and labelled.
Regulatory
Inventory, restriction, authorisation and candidate-list status, each stated individually. Where a status is not established, this page says so — it never says no restrictions apply.
Documentation
Which documents exist, at what review level, in which languages, and when each was issued.
Supplier
Who is selling this, and what they have published about themselves.
Nothing on this page is a certification. It is a record you can audit.
Two guarantees, both with their limits stated
The Gap Report Guarantee
If the available evidence cannot support a defensible document for your CAS number and product specification, we will not invent the missing values. You receive a documented gap report and choose: a refund, store credit, or the report on its own.
A visible gap is worth more than a plausible number, because the plausible number is the one that fails when somebody checks it.
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If a signed card is rejected by an authority or by a customer’s compliance officer on one of the points we checked and reported as passed, we re-issue it corrected at no charge and credit the original fee.
This covers the checks we performed and named. It does not cover registration status, tonnage, or your role in the supply chain — those are not ours to hold, and a guarantee that pretended otherwise would be worth nothing.
For α, α,α,4-tetrachlorotoluene (CAS 5216-25-1) the documentation obligation begins before the first shipment. This page sets out what the safety data sheet has to establish.
α, α,α,4-tetrachlorotoluene (CAS 5216-25-1) at a glance
Substance – α, α,α,4-tetrachlorotoluene
CAS number – 5216-25-1
EC number – 226-009-1
CLP Annex VI index number – 602-093-00-9
Also known as – p-chlorobenzotrichloride
Hazard statements – H350 (may cause cancer); H361f; H312 (harmful in contact with skin); H302 (harmful if swallowed); H335 (may cause respiratory irritation); H372 (causes damage to organs through prolonged or repeated exposure)
CMR classification – yes, classified as carcinogenic, mutagenic or toxic for reproduction
Documentation issued – safety data sheet in REACH Annex II structure; working draft or signed card
What is supplied – a document. MolGod.org does not sell, supply or ship chemical substances.
Identifiers that must agree
Three identifiers accompany this substance, and all must align: the CAS number 5216-25-1, the Annex VI index number 602-093-00-9, and the name as listed in the register. Incongruent identifiers represent the subtlest flaw in a documentation set, as each individual document appears correct until a cross-check reveals they describe distinct entities.
Where is regulatory status recorded for α, α,α,4-tetrachlorotoluene?
Section 15 records regulatory status for α, α,α,4-tetrachlorotoluene: whether it appears on the candidate list, whether it is subject to authorisation or restriction, and any national provisions. Downstream users ask this question routinely, and a sheet that answers it saves an exchange of emails per customer.
How do I check if my SDS for α, α,α,4-tetrachlorotoluene is still valid?
An existing sheet for α, α,α,4-tetrachlorotoluene can be checked against the register without commitment. The outcome worth having is the specific one: which section diverges, what the register says instead, and whether that divergence would stop a shipment.
What is the CLP classification of α, α,α,4-tetrachlorotoluene?
The harmonised classification for CAS 5216-25-1 carries 7 hazard statements: H350, H361f, H312, H302, H335, H372, H315. In plain terms this means may cause cancer; H361f; harmful in contact with skin; harmful if swallowed. A harmonised entry is binding across the Union — an importer may not soften it, and a self-classification that diverges from it will not survive an enforcement check.
Can I import α, α,α,4-tetrachlorotoluene into the EU?
An import of CAS 5216-25-1 succeeds or fails on whether the accompanying sheet matches the register. Among substances listed in CLP Annex VI the recurring failure is a classification carried over from a supplier outside the Union, where the same substance may be classified differently. Index 602-093-00-9 is the binding reference, and it is in regulated consignments that the discrepancy surfaces.
Which GHS pictograms apply to α, α,α,4-tetrachlorotoluene?
The label for α, α,α,4-tetrachlorotoluene carries GHS07 (exclamation mark), GHS08 (health hazard), with the signal word Danger. These are not chosen by the supplier: CLP Annex VI states them for CAS 5216-25-1, and the precedence rules in Annex I decide which pictogram is dropped when two would say the same thing. A label showing a different set from the register is wrong even if every hazard statement on it is correct.
How is α, α,α,4-tetrachlorotoluene classified for road, sea and air transport?
The transport classification for α, α,α,4-tetrachlorotoluene falls under section 14 and varies depending on the mode of transport: ADR for road, IMDG for sea, and IATA for air. A document that prints all three classifications without specifying which one applies places the responsibility on the shipper to select the correct one, and it is the shipper who faces penalties for making an incorrect choice.
Accidental release and containment
A spill involving substance with CAS number 5216-25-1 must be managed according to Section 6, which should clearly specify the required containment materials and personal protective equipment necessary for personnel approaching the spill site. An operational sheet outlining the cleanup process without detailing the appropriate attire for workers is considered incomplete.
What do customs check when importing α, α,α,4-tetrachlorotoluene?
When a consignment of α, α,α,4-tetrachlorotoluene is stopped at the border, the document examined first is rarely the invoice. It is section 14 of the safety data sheet and its agreement with the transport papers. A missing packing group, an absent UN number or a proper shipping name that contradicts the classification of CAS 5216-25-1 will hold the pallet regardless of how complete the remaining fifteen sections are.
What happens if a consignment of α, α,α,4-tetrachlorotoluene is refused?
Refusals related to α, α,α,4-tetrachlorotoluene typically arise from three main causes: outdated classification due to amendments, inconsistencies between transport data and shipping documents, and language barriers where the receiving authority does not accept the provided documentation. These issues are not apparent to a reader who perceives the document as professionally presented.
What must the label for α, α,α,4-tetrachlorotoluene contain?
The supply label for α, α,α,4-tetrachlorotoluene is generated from the same classification that drives the safety data sheet: pictograms selected by precedence, one signal word derived from the highest hazard class present, and the hazard statements H350, H361f, H312… reproduced in full. Where the container is too small to carry the complete set at a legible size, there are lawful ways to handle it and unlawful ones that look identical to a non-specialist.
Target organ toxicity in the sheet
Specific target organ toxicity (H372) obliges the sheet to state the route of exposure and, where established, the organ affected. This is one of the few places where a generic phrase is treated as a defect rather than as caution: an unspecified organ leaves the downstream user unable to build an exposure scenario.
Is α, α,α,4-tetrachlorotoluene classified as a CMR substance?
CAS 5216-25-1 is classified as a CMR substance (H350). That status changes the obligations attached to every shipment: workplace exposure documentation, restrictions on supply to the general public, and substitution pressure from downstream users who must justify continued use. A safety data sheet for a CMR substance is read more closely than any other, because the classification itself invites scrutiny.
Other names for this substance
The same substance appears in trade and in the literature under several names: p-chlorobenzotrichloride. A safety data sheet has to carry the name used in the harmonised entry, but a purchase order, a customs declaration and a certificate of analysis may each use a different one. Where the names diverge, CAS 5216-25-1 is the identifier that reconciles them — and a document set that relies on trade names alone will eventually be read as describing three different materials.
What is the EC number for α, α,α,4-tetrachlorotoluene?
Alongside CAS 5216-25-1, this substance carries EC number 226-009-1 and Annex VI index 602-093-00-9. European documentation is built around the EC number as often as around the CAS: registration dossiers, the candidate list and customs systems key on it. A safety data sheet quoting only one of the two forces every downstream reader to look up the other.
Questions about documentation for α, α,α,4-tetrachlorotoluene
What hazard statements apply to CAS 5216-25-1?
The harmonised entry lists H350, H361f, H312, H302. These are binding across the Union and may not be softened by a self-classification.
In which language must the sheet be supplied?
In an official language of each Member State where α, α,α,4-tetrachlorotoluene is placed on the market, unless that State has stated otherwise.
Can I check whether my existing sheet is still valid?
Yes. A section-by-section reading against Annex II and the current harmonised entry establishes that in one pass, and a sheet that passes is reported as passing.
Do I need a safety data sheet to import α, α,α,4-tetrachlorotoluene into the EU?
Yes. A sheet compiled to Annex II of REACH must exist before the first consignment moves, and it must be held by the entity placing the substance on the Union market.
MolGod.org issues documentation and does not sell, supply or ship chemical substances. CAS 5216-25-1 identifies the subject of this document.
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📚 Références scientifiques (Chicago Author-Date) — cliquez pour développer
Normes de gestion des lots et de certification en laboratoire — 13 sources indépendantes (ICH Q1/Q3/Q6/Q7/Q10 + ISO 17025 + WHO TRS + 21 CFR 211 + EMA + USP + Ph.Eur. + PIC/S + IPEC-PQG).
International Council for Harmonisation (ICH). 2000. "Q7 Good Manufacturing Practice Guide for Active Pharmaceutical Ingredients." ICH Expert Working Group. [lien ↗] — GMP for APIs — adopted by EMA, FDA, MHLW
International Organization for Standardization. 2017. "ISO/IEC 17025:2017 General requirements for the competence of testing and calibration laboratories." ISO. [lien ↗] — Lab accreditation standard underpinning every CoA
World Health Organization. 2010. "WHO Good Manufacturing Practices for Pharmaceutical Products: Main Principles (WHO Technical Report Series No. 957, Annex 3)." WHO Press. [lien ↗] — WHO TRS No. 957 — global reference for GMP
International Council for Harmonisation (ICH). 2003. "ICH Q1A(R2): Stability Testing of New Drug Substances and Products." International Council for Harmonisation. [lien ↗] — Source for batch shelf-life and retest dating
International Council for Harmonisation (ICH). 2006. "ICH Q3A(R2): Impurities in New Drug Substances." ICH. [lien ↗]
International Council for Harmonisation (ICH). 1999. "ICH Q6A: Specifications for New Drug Substances and Products." ICH. [lien ↗] — CoA acceptance-criteria specification standard
International Council for Harmonisation (ICH). 2008. "ICH Q10: Pharmaceutical Quality System." ICH. [lien ↗]
U.S. Food and Drug Administration. 2024. "21 CFR Part 211: Current Good Manufacturing Practice for Finished Pharmaceuticals." US Code of Federal Regulations. [lien ↗] — US legal mandate (Subpart J — Records and Reports)
European Medicines Agency. 2014. "Guideline on Process Validation for Finished Products — Information and Data to Be Provided EMA/CHMP/CVMP/QWP/BWP/70278/2012." European Medicines Agency. [lien ↗]
United States Pharmacopeial Convention. 2024. "United States Pharmacopeia and National Formulary, USP 47-NF 42." USP. [lien ↗]
European Pharmacopoeia Commission. 2024. "European Pharmacopoeia 11th Edition." Council of Europe — EDQM. [lien ↗]
Pharmaceutical Inspection Co-operation Scheme (PIC/S). 2021. "Guide to Good Manufacturing Practice for Medicinal Products PE 009-15." PIC/S Secretariat, Geneva. [lien ↗] — Cross-recognized GMP for 54 inspectorates worldwide
International Pharmaceutical Excipients Council (IPEC) and Pharmaceutical Quality Group (PQG). 2017. "Joint IPEC-PQG Good Manufacturing Practices Guide for Pharmaceutical Excipients." IPEC-Americas. [lien ↗] — Excipient-grade CoA standard for non-API ingredients
📜 Brevets (métadonnées publiques)
aucune donnée
Aucune métadonnée de brevet publique n'a été trouvée pour cette substance dans Crossref / OpenAlex pour le moment. Les données seront complétées automatiquement après le rafraîchissement du cache (24h).
📚 Références (Chicago Author-Date) — cliquez pour développer
Khalepo AI, Veselovskaia KA, Lapina LM et al.. (1984). "[Determination of the MPEL for alpha, alpha, alpha-trichloro-4-chlorotoluene in the air of work areas].". Gigiena truda i professional'nye zabolevaniia.
World Intellectual Property Organization. 2024. "Patent Cooperation Treaty (PCT)." https://www.wipo.int/pct/.
U.S. Patent and Trademark Office. 2024. "USPTO Patent Public Search." https://ppubs.uspto.gov/.
European Patent Office. 2024. "Espacenet Patent Search." https://worldwide.espacenet.com/.
Newman, David J., and Gordon M. Cragg. 2020. "Natural Products as Sources of New Drugs over the Nearly Four Decades from 01/1981 to 09/2019." Journal of Natural Products 83 (3): 770-803.
Davies, Mark, Michał Nowotka, George Papadatos, et al. 2015. "ChEMBL Web Services: Streamlining Access to Drug Discovery Data and Utilities." Nucleic Acids Research 43 (W1): W612-W620.
Bickerton, G. Richard, Gaia V. Paolini, Jérémy Besnard, Sorel Muresan, and Andrew L. Hopkins. 2012. "Quantifying the Chemical Beauty of Drugs." Nature Chemistry 4 (2): 90-98.
Meanwell, Nicholas A. 2011. "Synopsis of Some Recent Tactical Application of Bioisosteres in Drug Design." Journal of Medicinal Chemistry 54 (8): 2529-2591.
Ertl, Peter, and Ansgar Schuffenhauer. 2009. "Estimation of Synthetic Accessibility Score of Drug-Like Molecules Based on Molecular Complexity and Fragment Contributions." Journal of Cheminformatics 1: 8.
Hopkins, Andrew L., and Colin R. Groom. 2002. "The Druggable Genome." Nature Reviews Drug Discovery 1 (9): 727-730.
Allison, John R., and Mark A. Lemley. 1998. "Empirical Evidence on the Validity of Litigated Patents." AIPLA Quarterly Journal 26 (3): 185-275.
Patani, George A., and Edmond J. LaVoie. 1996. "Bioisosterism: A Rational Approach in Drug Design." Chemical Reviews 96 (8): 3147-3176.
Lerner, Josh. 1994. "The Importance of Patent Scope: An Empirical Analysis." RAND Journal of Economics 25 (2): 319-333.
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📚 RÉFÉRENCES (Bibliographie agrégée, Chicago Author-Date) 78 éléments
Toutes les sources scientifiques citées dans les accordéons ci-dessus pour le CAS 5216-25-1. Format : Chicago Manual of Style, 17e éd., système Auteur-Date.
AIST. n.d. Spectral Database for Organic Compounds (SDBS): CAS 5216-25-1. Tsukuba, Japan: National Institute of Advanced Industrial Science and Technology. https://sdbs.db.aist.go.jp/.
Linstrom, Peter J., and William G. Mallard, eds. n.d. NIST Chemistry WebBook: NIST Standard Reference Database Number 69. Gaithersburg, MD: National Institute of Standards and Technology. https://doi.org/10.18434/T4D303.
PubChem. n.d. PubChem Compound Summary: CAS 5216-25-1. Bethesda, MD: National Center for Biotechnology Information (NCBI), National Library of Medicine. https://pubchem.ncbi.nlm.nih.gov/#query=5216-25-1.
European Chemicals Agency (ECHA). 2024. "Annex VI to Regulation (EC) No 1272/2008 (CLP) — Harmonised Classification and Labelling." ECHA, Helsinki / Official Journal of the European Union. https://echa.europa.eu/regulations/clp/clp-classification.
National Institute for Occupational Safety and Health (NIOSH). 2017. "Recommendations for Chemical Protective Clothing: A Companion to the NIOSH Pocket Guide." U.S. Department of Health & Human Services / CDC. https://www.cdc.gov/niosh/ncpc/default.html.
Connors, Kenneth A., Gordon L. Amidon, and Valentino J. Stella. 1986. Chemical Stability of Pharmaceuticals: A Handbook for Pharmacists, 2nd ed.. New York: Wiley. https://doi.org/10.1002/0471734683.
Rumble, John R., ed. 2019. CRC Handbook of Chemistry and Physics: 100th Edition. Boca Raton, FL: CRC Press. https://hbcp.chemnetbase.com/.
Stefanis, Emmanuel, and Costas Panayiotou. 2008. "Prediction of Hansen Solubility Parameters with a New Group-Contribution Method." International Journal of Thermophysics 29: 568-585. https://doi.org/10.1007/s10765-008-0415-z.
Stoll, Vincent S., and John S. Blanchard. 1990. "Buffers: Principles and Practice: In Methods in Enzymology, vol. 182." San Diego: Academic Press. https://doi.org/10.1016/0076-6879(90)82008-P.
European Parliament. 2008. "Regulation (EC) No 1272/2008 on Classification, Labelling and Packaging of Substances and Mixtures (CLP)." Official Journal of the European Union L 353: 1–1355.
United Nations. 2021. Globally Harmonized System of Classification and Labelling of Chemicals (GHS). 9th revised ed. ST/SG/AC.10/30/Rev.9. New York and Geneva: United Nations. https://unece.org/ghs-rev9-2021.
United States Pharmacopeial Convention. 2024. "USP <621> Chromatography." In United States Pharmacopeia and National Formulary, USP 47-NF 42. Rockville, MD: USP. https://www.uspnf.com/.
International Organization for Standardization. 2017. "ISO/IEC 17025:2017 General Requirements for the Competence of Testing and Calibration Laboratories." Geneva: ISO. https://www.iso.org/standard/66912.html.
Kolthoff, Izaak Maurits, and Philip J. Elving, eds. 1978. Treatise on Analytical Chemistry, Part I: Theory and Practice. 2nd ed. New York: Wiley-Interscience.
Skoog, Douglas A., F. James Holler, and Stanley R. Crouch. 2018. Principles of Instrumental Analysis. 7th ed. Boston: Cengage Learning.
Christian, Gary D., Purnendu K. Dasgupta, and Kevin A. Schug. 2014. Analytical Chemistry. 7th ed. Hoboken, NJ: Wiley.
International Organization for Standardization. 1994. "ISO 5725-2:1994 Accuracy (Trueness and Precision) of Measurement Methods and Results — Part 2: Basic Method for the Determination of Repeatability and Reproducibility of a Standard Measurement Method." Geneva: ISO. https://www.iso.org/standard/11834.html.
Heckert, N. A., and J. J. Filliben. 2003. "NIST/SEMATECH e-Handbook of Statistical Methods." NIST Handbook 151. Gaithersburg, MD: National Institute of Standards and Technology. https://www.itl.nist.gov/div898/handbook/.
Grubbs, Frank E. 1950. "Sample Criteria for Testing Outlying Observations." Annals of Mathematical Statistics 21 (1): 27–58.
Dixon, Wilfrid J. 1950. "Analysis of Extreme Values." Annals of Mathematical Statistics 21 (4): 488–506.
Snedecor, George W., and William G. Cochran. 1989. Statistical Methods. 8th ed. Ames, IA: Iowa State University Press.
Student [William Sealy Gosset]. 1908. "The Probable Error of a Mean." Biometrika 6 (1): 1–25.
International Organization for Standardization. 2005. "ISO 3534-1:2006 Statistics — Vocabulary and Symbols — Part 1: General Statistical Terms and Terms Used in Probability." Geneva: ISO. https://www.iso.org/standard/40145.html.
Thompson, Michael, Stephen L. R. Ellison, and Roger Wood. 2002. "Harmonized Guidelines for Single-Laboratory Validation of Methods of Analysis." Pure and Applied Chemistry 74 (5): 835–855.
United Nations Economic Commission for Europe. 2024. European Agreement Concerning the International Carriage of Dangerous Goods by Road (ADR), Applicable as from 1 January 2025 (ECE/TRANS/352). Geneva: UNECE. https://unece.org/transport/dangerous-goods/adr-2025-edition.
Główny Inspektorat Ochrony Środowiska (GIOŚ). 2024. "Baza Danych O Odpadach (BDO) — System rejestracji firm utylizacyjnych." Ministerstwo Klimatu i Środowiska. https://bdo.mos.gov.pl/.
International Organization for Standardization. 2017. "ISO/IEC 17025:2017 General requirements for the competence of testing and calibration laboratories." ISO. https://www.iso.org/standard/66912.html.
World Health Organization. 2010. "WHO Good Manufacturing Practices for Pharmaceutical Products: Main Principles (WHO Technical Report Series No. 957, Annex 3)." WHO Press. https://www.who.int/publications/m/item/trs957-annex3.
Pharmaceutical Inspection Co-operation Scheme (PIC/S). 2021. "Guide to Good Manufacturing Practice for Medicinal Products PE 009-15." PIC/S Secretariat, Geneva. https://picscheme.org/en/publications.
