3-(1H-pyrazol-1-ylmethyl)benzoic acid

Base Information

• Chemical Name: 3-(1H-pyrazol-1-ylmethyl)benzoic acid
• CAS No.: 562803-68-3
• Molecular Formula: C11H10N2O2
• Molecular Weight: 202.21
• Hs Code.: 2933199090
• European Community (EC) Number: 874-079-2
• DSSTox Substance ID: DTXSID00361421
• Nikkaji Number: J1.861.204F
• Wikidata: Q82143759
• ChEMBL ID: CHEMBL164271
• Mol file: 562803-68-3.mol

Synonyms:3-(1H-pyrazol-1-ylmethyl)benzoic acid;562803-68-3;3-Pyrazol-1-ylmethyl-benzoic acid;3-((1H-Pyrazol-1-yl)methyl)benzoic acid;3-(pyrazol-1-ylmethyl)benzoic acid;MFCD02253844;3-[(1H-pyrazol-1-yl)methyl]benzoic acid;MLS000085986;CHEMBL164271;DTXSID00361421;HMS2331K09;BBL038149;STK299928;AKOS000168387;FS-1868;3-(1H-Pyrazole-1-ylmethyl)benzoic acid;3-((1H-Pyrazol-1-yl)methyl)benzoicacid;SMR000021315;FT-0677731;EN300-83508;F79064;A869984;SR-01000104613;SR-01000104613-1;Z316899202

Chemical Property of 3-(1H-pyrazol-1-ylmethyl)benzoic acid

Chemical Property:

• Vapor Pressure: 5.09E-08mmHg at 25°C
• Melting Point: 151 °C
• Refractive Index: 1.615
• Boiling Point: 426.1°C at 760 mmHg
• PKA: 4.15±0.10(Predicted)
• Flash Point: 211.5°C
• PSA: 55.12000
• Density: 1.24g/cm³
• LogP: 1.62960
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 202.074227566
• Heavy Atom Count: 15
• Complexity: 233

Purity/Quality:

98%min ^*data from raw suppliers

3-(1H-Pyrazol-1-ylmethyl)benzoicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)C(=O)O)CN2C=CC=N2