ChemicalBook--->CAS DataBase List--->216959-87-4

216959-87-4

216959-87-4 Structure

216959-87-4 Structure
IdentificationBack Directory
[Name]

4-(1H-1,2,3-Triazol-1-yl)benzoic acid
[CAS]

216959-87-4
[Synonyms]

4-(1,2,3-Triazol-1-yl)benzoic acid
4-(1H-1,2,3-Triazol-1-yl)benzoic acid
Benzoic acid, 4-(1H-1,2,3-triazol-1-yl)-
[Molecular Formula]

C9H7N3O2
[MOL File]

216959-87-4.mol
[Molecular Weight]

189.17
Chemical PropertiesBack Directory
[Boiling point ]

411.1±47.0 °C(Predicted)
[density ]

1.39±0.1 g/cm3(Predicted)
[pka]

3.80±0.10(Predicted)
[InChI]

InChI=1S/C9H7N3O2/c13-9(14)7-1-3-8(4-2-7)12-6-5-10-11-12/h1-6H,(H,13,14)
[InChIKey]

JTHKCLWGWCRWRN-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C1=CC=C(N2C=CN=N2)C=C1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P313-P337+P313-P362-P403+P233-P405-P501
Spectrum DetailBack Directory
[Spectrum Detail]

4-(1H-1,2,3-Triazol-1-yl)benzoic acid(216959-87-4)1HNMR
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