4-[(4-Chloro-5-Methyl-3-Nitro-1H-Pyrazol-1-Yl)Methyl]Benzoic Acid
[CAS# 491831-83-5]

Identification

• Name: 4-[(4-Chloro-5-Methyl-3-Nitro-1H-Pyrazol-1-Yl)Methyl]Benzoic Acid
• Synonyms: 4-({4-chloro-3-nitro-5-methyl-1H-pyrazol-1-yl}methyl)benzoicacid; 4-(4-Chloro-5-methyl-3-nitro-pyrazol-1-ylmethyl)-benzoic acid; 4-[(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid
• Molecular Formula: C₁₂H₁₀ClN₃O₄
• Molecular Weight: 295.68
• CAS Registry Number: 491831-83-5
• SMILES: [O-][N+](=O)c1nn(c(c1Cl)C)Cc2ccc(C(=O)O)cc2
• InChI: 1S/C12H10ClN3O4/c1-7-10(13)11(16(19)20)14-15(7)6-8-2-4-9(5-3-8)12(17)18/h2-5H,6H2,1H3,(H,17,18)
• InChIKey: RPDSHNBIFOPINO-UHFFFAOYSA-N

Properties

• Density: 1.534g/cm³ (Cal.)
• Boiling point: 535.76°C at 760 mmHg (Cal.)
• Flash point: 277.818°C (Cal.)
• Refractive index: 1.665 (Cal.)