1,2,3-Triazine

HCID 123047CAS 12654-97-6

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Basic information

Standard SMILES: c1cnnnc1
InChIKey: JYEUMXHLPRZUAT-UHFFFAOYSA-N
Molecular formula: C3H3N3
Average molar mass: 81.08 g/mol
Monoisotopic mass: 81.0326971

Overview

1,2,3-triazine is a triazine.

Names & identifiers

Preferred name: 1,2,3-Triazine
IUPAC: triazine
English name: 1,2,3-Triazine
Molecular formula: C3H3N3
Molecular weight: 81.08

Names & synonyms

1,2,3-Triazine289-96-31,2,3-TriazabenzeneCHEBI:38058RefChem:1052002Triazine12654-97-6MFCD13193661(1,2,3)triazine[1,2,3]triazineEINECS 235-754-1SCHEMBL2940

Show more names

Ametryn Impurity 10

SCHEMBL13282SCHEMBL130342SCHEMBL334011SCHEMBL2750757SCHEMBL4813446DTXSID60753081,2,3-Triazine, >=95%AT42841

Database identifiers

CAS: 12654-97-6、289-96-3
PubChem CID: 123047
DTXSID: DTXSID6075308
ChEBI: CHEBI:38058
EC Number: 235-754-1、808-989-8
Nikkaji: J337.251K

Properties

Computed structural properties

XLogP: -0.7
Topological polar surface area: 38.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 6
Formal charge: 0
Complexity: 33

Experimental & physicochemical properties

SpringerMaterials PropertiesDiamagnetic susceptibility

Physicochemical properties

Melting point: 66 °C · 66 °C(Solv: ethyl ether (60-29-7))
Boiling point: 164.6 · 164.6±23.0 °C(Predicted)
Density: 1.173 · 1.173±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Sealed in dry,Store in freezer, under -20°C
pka: 1.05 · 1.05±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationTriazine: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesAcute Tox. 4 (100%)