2,4-Dichloro-1,3,5-triazine

HCID 17810

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 2831-66-5
Standard SMILES: Clc1ncnc(Cl)n1
InChIKey: OMRXVBREYFZQHU-UHFFFAOYSA-N
Molecular formula: C3HCl2N3
Average molar mass: 149.96 g/mol
Monoisotopic mass: 148.95475239

Names & identifiers

Preferred name: 2,4-Dichloro-1,3,5-triazine
IUPAC: 2,4-dichloro-1,3,5-triazine
English name: 2,4-Dichloro-1,3,5-triazine
Molecular formula: C3HCl2N3
Molecular weight: 149.97

Names & synonyms

2,4-Dichloro-1,3,5-triazine2831-66-5dichloro-s-triazineDTXSID10274598RefChem:443242DTXCID60226067676-236-9MFCD04115347C3HCl2N31,3,5-TRIAZINE, 2,4-DICHLORO-2,6-dichloro-1,3,5-triazine2, 4-dichloro-1, 3, 5-triazine

Show more names

oro-1,3,5-triazine2,4-dichlorotriazine2,4-Dichloro-s-triazine1,3,5-Triazine,2,4-dichloro-2,4-Dichloro-1,3,5-triazine>2,4-Dichloro-1,3,5-Triazine pure, 98%

AC-2953PB20114PS-4865CS-0052169EN300-98635Z12016228812,4-dichloro-[1,3,5]triazineBCP22466

Database identifiers

CAS: 2831-66-5
PubChem CID: 17810
DTXSID: DTXSID10274598
EC Number: 676-236-9
Nikkaji: J1.553.128B

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 38.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 70.9

Physicochemical properties

Melting point: 54 to · 54.0 to 58.0 °C
Boiling point: 102 °C/75mmHg · 102°C/75mmHg(lit.)
Density: 1.612 · 1.612±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Solid
pka: -1.24 · -1.24±0.10(Predicted)
color: White to Off-White
InChI: InChI=1S/C3HCl2N3/c4-2-6-1-7-3(5)8-2/h1H
InChIKey: OMRXVBREYFZQHU-UHFFFAOYSA-N
SMILES: N1=CN=C(Cl)N=C1Cl
CAS DataBase Reference: 2831 · 2831-66-5(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
HazardClass: IRRITANT
HS Code: 2933698090 · 2933698090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]

P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (25%)

Safety data

hs_code: 2933698090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36/37/39
hazard_class: IRRITANT
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Chemistry & industry

Applications

Uses2,4-Dichloro-1,3,5-triazine is used as an intermediate in organic synthesis and pharmaceutical intermediates, and it is an intermediate in the preparation of bromhexine impurities.