CAS 6542-67-2 1,3,5-Triazine, 2,4,6-tris(trichloromethyl)- (HCID 23038)

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Basic information

CAS: 6542-67-2
Standard SMILES: ClC(Cl)(Cl)c1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1
InChIKey: DXUMYHZTYVPBEZ-UHFFFAOYSA-N
Molecular formula: C6Cl9N3
Average molar mass: 433.1 g/mol
Monoisotopic mass: 428.728896

Names & identifiers

Preferred name: 1,3,5-Triazine, 2,4,6-tris(trichloromethyl)-
IUPAC: 2,4,6-tris(trichloromethyl)-1,3,5-triazine
English name: 2,4,6-Tris(trichloromethyl)-1,3,5-triazine
Molecular formula: C6Cl9N3
Molecular weight: 433.16

Names & synonyms

2,4,6-Tris(trichloromethyl)-1,3,5-triazine6542-67-21,3,5-Triazine, 2,4,6-tris(trichloromethyl)-DTXSID90215727NSC 26769RefChem:72304DTXCID20138218614-061-1639-503-0MFCD00023177tris(trichloromethyl)-1,3,5-triazine2,4,6-TRIS(TRICHLOROMETHYL)-S-TRIAZINE

Show more names

DXUMYHZTYVPBEZ-UHFFFAOYSA-N2,4,6-(trichloromethyl)triazine2,4,6-Tri(trichloromethyl)-1,3,5-triazine

C6Cl9N3Acetonitrile, trimers-Triazine, 2,4,6-tris(trichloromethyl)-SCHEMBL79695tris-trichloromethyl-s-triazineCHEMBL2286883Acetonitrile, trichloro-, trimerNSC26769

Database identifiers

CAS: 6542-67-2
PubChem CID: 23038
DTXSID: DTXSID90215727
ChEMBL: CHEMBL2286883
EC Number: 614-061-1、639-503-0
Nikkaji: J130.866A

Properties

Computed structural properties

XLogP: 4.9
Topological polar surface area: 38.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 18
Formal charge: 0
Complexity: 233

Physicochemical properties

Melting point: 96 °C · 96 °C
Boiling point: 176 · 176-178 °C(Press: 12 Torr)
Density: 1.941 · 1.941±0.06 g/cm3(Predicted)
form: liquid
pka: -4.04 · -4.04±0.10(Predicted)
color: Clear
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 301 · P301+P310-P261
TSCA: TSCA listed
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 2.6% (1 of 39) of reports.

Warning

H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 1 of 39 reports by companies.；There is 1 notification provided by 38 of 39 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.