Trichloroisocyanuric Acid

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

Full record: Trichloroisocyanuric Acid — Safety Data Sheet →

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

Model views

  • Trichloroisocyanuric Acid (CAS 87-90-1) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • Trichloroisocyanuric Acid (CAS 87-90-1) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • Trichloroisocyanuric Acid (CAS 87-90-1) – 2D structure, MolGod Viewer
    2D structure

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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 interactive 3D model and the viewer images are protected by copyright (© MolGod.org) — terms of use: molgod.org/copyright/.

Physicochemical properties
Molecular formulaC3Cl3N3O3
Molar mass232.41 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: Danger

GHS03
GHS03
GHS07
GHS07
GHS09
GHS09

H272 — May intensify fire; oxidiser

H302 — Harmful if swallowed

H335 — May cause respiratory irritation

H319 — Causes serious eye irritation

H400 — Very toxic to aquatic life

H410 — Very toxic to aquatic life with long lasting effects

EUH031 — Contact with acids liberates toxic gas.

Scientific literature

Related literature

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

Filters:Export:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

📈 Publication timeline (number of articles: 3)

1988: number of articles 119881989: number of articles 119892008: number of articles 12008

Bar height = number of articles in a given year. Hover over a bar to see details.

Data from PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary generated by Semantic Scholar TLDR. Articles marked with require paid access.

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
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
Trichloroisocyanuric Acid · 87-90-1
InChIKey
YRIZYWQGELRKNT-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — Trichloroisocyanuric Acid (CAS 87-90-1)
License & provenance record
Trichloroisocyanuric Acid (CAS 87-90-1) →
MolGod molecule record
Trichloroisocyanuric Acid →
Source data
PubChem CID 6909 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
53ec86581f8a8a4c605c369b3a36e49a0ab964ffc05873d4b6fa659b63a0c9ce
MD5 (STL)
0e77fefddef94c40551b20d785430870
MolGod Identification Number
MG_859-326-511-41
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons
not published yet
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