Trichloroisocyanuric Acid

CAS 87-90-1  ·  C3Cl3N3O3  ·  MW 232.41 g/mol

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3D model Trichloroisocyanuric Acid, CAS 87-90-1, molecular formula C3Cl3N3O3, molar mass 232.41 g/mol
About Trichloroisocyanuric Acid

Trichloroisocyanuric Acid is a chemical compound registered under number CAS 87-90-1, with the molecular formula C3Cl3N3O3, and a molar mass of 232.41 g/mol.

The molecule contains 12 atoms connected by 12 chemical bonds. The full systematic IUPAC name of this compound is 1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 1.2 (positive value, a lipophilic compound), polar surface area PSA = 60.9 Ų, 0 donors and 3 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC3Cl3N3O3
Masa molowa232.41 g/mol
IUPAC1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione
SMILESC1(=O)N(C(=O)N(C(=O)N1Cl)Cl)Cl
InChIKeyYRIZYWQGELRKNT-UHFFFAOYSA-N
logP (XLogP3)1.2
PSA60.9 Ų
HBD / HBA0 / 3
PubChem CIDCID 6909 ↗
GHS safety

Signal word: Warning

GHS03
GHS03
GHS07
GHS07
GHS09
GHS09

H272 — Może intensyfikować pożar; utleniacz

H302 — Działa szkodliwie po połknięciu

H335 — Może powodować podrażnienie dróg oddechowych

H319 — Działa drażniąco na oczy

H400 — Działa bardzo toksycznie na organizmy wodne

H410 — Działa bardzo toksycznie na organizmy wodne, powodując długotrwałe skutki

EUH031 — W kontakcie z kwasami uwalnia toksyczne gazy

Scientific literature

Related literature

3 articles · 0 open access · Sources: PubMed, OpenAlex, Semantic Scholar

Filtry:Eksport:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

📈 Publication timeline (3 articles)

1988: 1 articles19881989: 1 articles19892008: 1 articles2008

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Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

Synonyms
TRICHLOROISOCYANURIC ACID · Symclosene · 87-90-1 · Trichlorocyanuric acid · Symclosen · Chloreal · Trichloro-s-triazinetrione · Fi Clor 91 · Fichlor 91 · Isocyanuric chloride · Trichloroisocyanic acid · Neochlor 90 · 1,3,5-Trichloroisocyanuric acid · ACL 85 · Sincloseno
Data sources
Related molecules
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License & Provenance

MolGod 3D molecular model
Trichloroisocyanuric Acid — CAS 87-90-1

License: CC BY-SA 4.0 (source rights NIEUSTALONE — not yet granted for this model)

MolGod License & Provenance Record:
Trichloroisocyanuric Acid (CAS 87-90-1) — License & Provenance

Source:
Trichloroisocyanuric Acid (CAS 87-90-1) — MolGod molecule record

Source data: PubChem CID 6909

STL: Download 3D model (244 KB)

SHA-256: 57c5b302aa03ed02f232503bd2e2f66c3382721306a80d7ef42b737383f1cdc4

Wikimedia Commons: not published yet

Source data: PubChem CID 6909

This licence applies to the MolGod-created STL mesh, not automatically to third-party source material.