3,5-Dimethyl-1-(Phenylmethyl)Pyrazole-4-Carboxylate
[CAS# 108444-25-3]

Identification

• Name: 3,5-Dimethyl-1-(Phenylmethyl)Pyrazole-4-Carboxylate
• Synonyms: 3,5-Dimethyl-1-(Phenylmethyl)-4-Pyrazolecarboxylate; 1-(Benzyl)-3,5-Dimethyl-Pyrazole-4-Carboxylate; Zinc03683275
• Molecular Formula: C₁₃H₁₃N₂O₂
• Molecular Weight: 229.26
• CAS Registry Number: 108444-25-3
• SMILES: C2=C(C[N]1N=C(C(=C1C)C([O-])=O)C)C=CC=C2
• InChI: 1S/C13H14N2O2/c1-9-12(13(16)17)10(2)15(14-9)8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,16,17)/p-1
• InChIKey: QBQWUFSHKRRJPB-UHFFFAOYSA-M

Properties

• Boiling point: 422.739°C at 760 mmHg (Cal.)
• Flash point: 209.465°C (Cal.)