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

Base Information

• Chemical Name: 3-(1H-pyrazol-1-yl)benzoic acid
• CAS No.: 264264-33-7
• Molecular Formula: C₁₀H₈N₂O₂
• Molecular Weight: 188.186
• Hs Code.: 29331990
• European Community (EC) Number: 630-141-9
• DSSTox Substance ID: DTXSID20383766
• Wikidata: Q82175559
• Mol file: 264264-33-7.mol

Synonyms:3-(1H-pyrazol-1-yl)benzoic acid;264264-33-7;3-pyrazol-1-ylbenzoic Acid;3-Pyrazol-1-yl-benzoic acid;3-(1H-Pyrazol-1-yl)benzoicacid;Benzoic acid, 3-(1H-pyrazol-1-yl)-;SCHEMBL940668;DTXSID20383766;KLMWJDGRIJPPSS-UHFFFAOYSA-N;3-(1H-pyrazol-1-yl)-benzoic acid;BBL011656;MFCD05864484;STK802498;AKOS000303068;AB22768;AS-62057;BP-13258;BB 0220088;FT-0678002;EN300-63969;3-(1H-Pyrazol-1-yl)benzoic acid, AldrichCPR;A818442;J-510431;F2135-1152;Z339275020

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

Chemical Property:

• Vapor Pressure: 1.56E-06mmHg at 25°C
• Melting Point: 154 °C
• Refractive Index: 1.631
• Boiling Point: 382.5 °C at 760mmHg
• PKA: 3.89±0.10(Predicted)
• Flash Point: 185.1 °C
• PSA: 55.12000
• Density: 1.28 g/cm³
• LogP: 1.57050
• Storage Temp.: 2-8°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 188.058577502
• Heavy Atom Count: 14
• Complexity: 220

Purity/Quality:

98%min ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 22-36/37/38
• Safety Statements: 22-26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)N2C=CC=N2)C(=O)O