# Nitrobenzen (CAS 98-95-3) CAS: 98-95-3 PubChem CID: 7416 InChIKey: LQNUZADURLCDLV-UHFFFAOYSA-N Wikidata: Q407290 Molecular formula: C6H5NO2 Molar mass: 123.11 g/mol IUPAC: nitrobenzene SMILES: C1=CC=C(C=C1)[N+](=O)[O-] InChI: InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H logP (XLogP3): 1.9 PSA: 45.8 A^2 Hydrogen bond donors: 0 Hydrogen bond acceptors: 2 Rotatable bonds: 0 Heavy atoms: 9 3D structure: 14 atoms, 14 bonds ## About the compound Nitrobenzen (CAS 98-95-3) is a chemical compound registered under CAS number 98-95-3. Molecular formula: C6H5NO2. Molar mass: 123.11 g/mol. The full systematic IUPAC name is: nitrobenzene. The molecule contains 14 atoms connected by 14 chemical bonds. Chemical data comes from the PubChem (NIH), ChEMBL (EBI) and NIST WebBook databases. GHS statement translations comply with the CLP Regulation (EC 1272/2008). Interactive 3D model and 2D skeleton available at: https://molgod.org/molekula/98-95-3/ ## GHS classification Signal word: Danger Pictograms: GHS06, GHS08 Hazard statements (H): H351: Suspected of causing cancer H360F: May damage fertility H331: Toxic if inhaled H311: Toxic in contact with skin H301: Toxic if swallowed H372: Causes damage to organs through prolonged or repeated exposure H412: Harmful to aquatic life with long lasting effects Precautionary statements (P): P203: Obtain, read and follow all safety instructions before use P273: Avoid release to the environment ## Synonyms - NITROBENZENE - 98-95-3 - Nitrobenzol - Benzene, nitro- - Essence of mirbane - nitro-Benzene - Nitrobenzeen - Nitrobenzen - Mononitrobenzene - Essence of Myrbane - p-Nitrobenzene - RCRA waste number U169 ## Available in the shop Shop: MolGod Product: Nitrobenzen (CAS 98-95-3) — Xilong Scientific URL: https://molgod.org/sds-cards/nitrobenzen-cas-no-98-95-cas-98-95-3-xilong-scientific/ ## Regulatory compliance checklist Status based on: ADR 2025 (Table A), REACH Annex XVII, CLP Annex VI (harmonised classification), hazard class from the m14-spill DB, SVHC, GIS and the Polish OEL list. Principle: no data = no claim (we do NOT declare "no restrictions" without a basis). 7 required / 12 items [required] SDS (Safety Data Sheet) available (sds) How to comply: Requirement: current SDS compliant with Reg. 1907/2006 (REACH) Annex II, 16-section format. Source / form: https://echa.europa.eu/information-on-chemicals [required] Compliant CLP label (pictograms + signal word + H/P) (clp_label) How to comply: The label must include: GHS pictograms, the signal word (Danger/Warning), hazard (H) and precautionary (P) statements, and manufacturer details. Required since 2010 (substances) and 2015 (mixtures). For this substance a HARMONISED CLASSIFICATION applies (CLP Annex VI) — see below; it takes precedence over self-classification. CLP VI: Carc. 2, Repr. 1B, Acute Tox. 3, Acute Tox. 3, Acute Tox. 3, STOT RE 1, Aquatic Chronic 3 — H351, H360F, H331, H311, H301, H372 (blood), H412 Source / form: https://eur-lex.europa.eu/legal-content/EN/TXT/?uri=CELEX:32008R1272 [required] Chemical OSH training (substance-specific) (bhp_training) How to comply: Laboratory staff: initial training (general induction + job-specific) + refresher training every 5 years (or every 3 for engineering/technical positions). Documentation kept in personnel files. Source / form: https://isap.sejm.gov.pl/isap.nsf/DocDetails.xsp?id=WDU20040180169 [required] BDO registration (Polish Waste Database) (bdo_registration) How to comply: The GHS classification of this substance indicates properties that may render the waste arising from it hazardous (Regulation 1357/2014, HP properties — with concentration thresholds calculated from the content in the waste, not in the reagent). Whether this gives rise to an obligation to keep BDO records depends on the waste producer and the scale of activity (Art. 50 of the Polish Waste Act; exemptions include up to 100 kg/year of hazardous waste). This is not a statement of obligation for the purchaser. Source / form: https://bdo.mos.gov.pl/ [to be verified] ADR transport (international agreement) (adr_transport) How to comply: No ADR data in the MOL-GOD dataset for this CAS number. Do NOT assume there are no restrictions — before shipping, verify the transport classification in ADR 2025 (Table A) and in section 14 of the safety data sheet (SDS). Source / form: https://unece.org/transport/dangerous-goods/adr-2025-files [conditional] REACH registration (>1 t/year EU import) (reach_registration) How to comply: Importers/manufacturers ≥1 tonne/year must register the substance with ECHA (technical dossier + Chemical Safety Report if ≥10 t). Check the ECHA Annex VI / registered substances list. Source / form: https://echa.europa.eu/regulations/reach/registration [to be verified] SVHC notification (Substances of Very High Concern) (svhc_declaration) How to comply: SVHC status not verified against the available dataset — check the current ECHA candidate list; do not assume the absence of an entry. Source / form: https://echa.europa.eu/candidate-list-table [to be verified] REACH Annex XIV (authorisation list) (reach_annex_xiv) How to comply: Not verified against the ECHA Authorisation List — check REACH Annex XIV. Source / form: https://echa.europa.eu/authorisation-list [required] REACH Annex XVII (use/marketing restrictions) (reach_annex_xvii) How to comply: Substance subject to a REACH Annex XVII restriction (entry 28–30): CMR category 1A/1B — not for supply to the general public (professional users only). Check the conditions for placing on the market/use and the note in SDS section 15. REACH XVII 28–30: CMR category 1A/1B — not for supply to the general public (professional users only). Source / form: https://echa.europa.eu/substances-restricted-under-reach [required] OEL — Occupational Exposure Limit in the working environment (nds_workplace) How to comply: NDS (workplace exposure limit) for this substance: 1 mg/m³ (NDS 8h). Air concentration measurements at the workplace at least 1×/2 years (when ≤0.1 NDS) or 1×/year (when 0.1-0.5 NDS). Accredited measurement laboratory. NDS: 1 mg/m³ (NDS 8h) Source / form: https://isap.sejm.gov.pl/isap.nsf/DocDetails.xsp?id=WDU20240001017 [to be verified] GIS register (precursors / psychotropics) (gis_register) How to comply: Does not appear in the available working set of precursors (list incomplete). Absence is NOT a confirmation — verify against Annex I of Reg. (EC) 273/2004 and the GIS list before placing on the market. Source / form: https://www.gov.pl/web/gis [required] Safety Data Sheet in Polish (sds_pl) How to comply: Requirement: SDS in Polish for trade in PL (Art. 31 REACH + Chemical Substances Act Art. 17). Source / form: https://isap.sejm.gov.pl/isap.nsf/DocDetails.xsp?id=WDU20012112135 ## Data sources - PubChem CID 7416: https://pubchem.ncbi.nlm.nih.gov/compound/7416 - Wikidata: https://www.wikidata.org/wiki/Q407290 - NIST WebBook: https://webbook.nist.gov/cgi/cbook.cgi?ID=98-95-3 - ChEMBL: https://www.ebi.ac.uk/chembl/g/#search_results/all/query=98-95-3 --- Standalone HTML page: https://molgod.org/molekula/98-95-3/ Markdown version: https://molgod.org/molekula/98-95-3.md JSON API: https://molgod.org/wp-json/molgod/v1/molecule/98-95-3 Last updated: 2026-09-02 Generator: MOL-GOD v3.12.33