5-methyl-2H-1,2,3-triazole-4-carboxylic acid

HCID 4436040

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Basic information

CAS: 832737-27-6
Standard SMILES: Cc1n[nH]nc1C(=O)O
InChIKey: VCFOEWURSYAGKP-UHFFFAOYSA-N
Molecular formula: C4H5N3O2
Average molar mass: 127.1 g/mol
Monoisotopic mass: 127.0381764

Names & identifiers

Preferred name: 5-methyl-2H-1,2,3-triazole-4-carboxylic acid
IUPAC: 5-methyl-2H-triazole-4-carboxylic acid
English name: 5-Methyl-2H-1,2,3-triazole-4-carboxylic acid (SALTDATA: FREE)
Molecular formula: C4H5N3O2
Molecular weight: 127.1

Names & synonyms

5-methyl-2H-1,2,3-triazole-4-carboxylic acidRefChem:537057842-673-05-Methyl-1H-1,2,3-triazole-4-carboxylic acid832737-27-689166-02-95-methyl-2H-triazole-4-carboxylic acid4-METHYL-1H-1,2,3-TRIAZOLE-5-CARBOXYLIC ACIDMFCD049687635-Methyl-2H-[1,2,3]triazole-4-carboxylic acid2H-[1,2,3]Triazole-4-carboxylic acid, 5-methyl-MFCD00227384

Show more names

5-Methyl-2H-1,2,3-triazole-4-carboxylic acid (SALTDATA: FREE)

1H-1,2,3-triazole-4-carboxylic acid, 5-methyl-v-Triazole-4-carboxylic acid, 5-methyl- (7CI)SCHEMBL1930145SCHEMBL3033682SCHEMBL10063339DTXSID301003248KUC106908NALBB-028474

Database identifiers

CAS: 832737-27-6
PubChem CID: 4436040
DTXSID: DTXSID301003248
EC Number: 842-673-0

Properties

Computed structural properties

XLogP: -0.1
Topological polar surface area: 78.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 127

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H302-H335
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H302-H335
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362