4-(1H-1,2,4-triazol-5-yl)benzoic acid

Base Information

• Chemical Name: 4-(1H-1,2,4-triazol-5-yl)benzoic acid
• CAS No.: 876715-40-1
• Molecular Formula: C9H7N3O2
• Molecular Weight: 189.173
• Hs Code.: 2933990090
• European Community (EC) Number: 821-577-2,953-469-7
• DSSTox Substance ID: DTXSID80424366
• Wikidata: Q82236908
• Mol file: 876715-40-1.mol

Synonyms:876715-40-1;4-(1H-1,2,4-triazol-5-yl)benzoic acid;4-(2H-[1,2,4]Triazol-3-yl)-benzoic acid;4-(2h-[1,2,4]triazol-3-yl)benzoic acid;SCHEMBL4224606;SCHEMBL14576244;DTXSID80424366;BNQHSXYQJHXBMM-UHFFFAOYSA-N;MFCD07643206;AKOS000303005;AKOS012221929;AKOS022477534;AT12332;FS-6397;4-(1H-1,2,4-triazol-5-yl)benzoicacid;4-(1h-1,2,4-triazol-3-yl)benzoic acid;CS-0456835;FT-0721287;EN300-139972;A917393;4-(1H-1,2,4-Triazol-5-yl)benzoic acid, AldrichCPR;Z1715300894

Chemical Property of 4-(1H-1,2,4-triazol-5-yl)benzoic acid

Chemical Property:

• Vapor Pressure: 1.63E-09mmHg at 25°C
• Boiling Point: 466.8°C at 760 mmHg
• Flash Point: 236.1°C
• PSA: 78.87000
• Density: 1.432g/cm³
• LogP: 1.16990
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 189.053826475
• Heavy Atom Count: 14
• Complexity: 214

Purity/Quality:

98%Min ^*data from raw suppliers

4-(1H-1,2,4-triazol-5-yl)benzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=NC=NN2)C(=O)O