4-[(3,5-Dimethyl-1H-Pyrazol-1-Yl)Methyl]Benzoic Acid
[CAS# 312531-87-6]

Identification

• Name: 4-[(3,5-Dimethyl-1H-Pyrazol-1-Yl)Methyl]Benzoic Acid
• Synonyms: 4-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)benzoic acid; 4-(3,5-Dimethyl-pyrazol-1-ylmethyl)-benzoic acid; 4-(3,5-Dimethyl-pyrazol-1-ylmethyl)-benzoicacid
• Molecular Formula: C₁₃H₁₄N₂O₂
• Molecular Weight: 230.26
• CAS Registry Number: 312531-87-6
• SMILES: CC1=CC(=NN1CC2=CC=C(C=C2)C(=O)O)C
• InChI: 1S/C13H14N2O2/c1-9-7-10(2)15(14-9)8-11-3-5-12(6-4-11)13(16)17/h3-7H,8H2,1-2H3,(H,16,17)
• InChIKey: ORMOJZFLVSEQOR-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 425.7±45.0°C at 760 mmHg (Cal.)
• Flash point: 211.3±28.7°C (Cal.)
• Refractive index: 1.596 (Cal.)

Safety Data

• Safety Description: IRRITANT