(4-Chloro-5-Methyl-3-Nitro-1H-Pyrazol-1-Yl)Acetic Acid
[CAS# 351996-53-7]

Identification

• Name: (4-Chloro-5-Methyl-3-Nitro-1H-Pyrazol-1-Yl)Acetic Acid
• Synonyms: (4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetic acid; (4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-acetic acid; (4-Chloro-5-methyl-3-nitro-pyrazol-1-yl)-acetic acid
• Molecular Formula: C₆H₆ClN₃O₄
• Molecular Weight: 219.58
• CAS Registry Number: 351996-53-7
• SMILES: CC1=C(C(=NN1CC(=O)O)[N+](=O)[O-])Cl
• InChI: 1S/C6H6ClN3O4/c1-3-5(7)6(10(13)14)8-9(3)2-4(11)12/h2H2,1H3,(H,11,12)
• InChIKey: ARQFVRQZKJYVKU-UHFFFAOYSA-N

Properties

• Density: 1.8±0.1g/cm³ (Cal.)
• Boiling point: 445.2±45.0°C at 760 mmHg (Cal.)
• Flash point: 223.1±28.7°C (Cal.)
• Refractive index: 1.668 (Cal.)

Safety Data

• Safety Description: IRRITANT