4-[(Chloroacetyl)(Methyl)Amino]Benzoic Acid
[CAS# 147149-44-8]

Identification

• Name: 4-[(Chloroacetyl)(Methyl)Amino]Benzoic Acid
• Synonyms: 4-(2-chloro-N-methylacetylamino)benzoic acid; 4'-Carboxy-N-methyl-2-chloroacetanilide; N-Methyl-4-(2-chloroacetamido)benzoic acid
• Molecular Formula: C₁₀H₁₀ClNO₃
• Molecular Weight: 227.64
• CAS Registry Number: 147149-44-8
• SMILES: CN(C1=CC=C(C=C1)C(=O)O)C(=O)CCl
• InChI: 1S/C10H10ClNO3/c1-12(9(13)6-11)8-4-2-7(3-5-8)10(14)15/h2-5H,6H2,1H3,(H,14,15)
• InChIKey: QKSXGBJMRZJGTM-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Melting point: 188-190°C (Expl.)
• Boiling point: 401.0±30.0°C at 760 mmHg (Cal.)
• Flash point: 196.3±24.6°C (Cal.)
• Refractive index: 1.608 (Cal.)

Safety Data

• Safety Code: S26;S37
• Risk Code: R36/37/38
• Hazard Symbol: X
• Safety Description: IRRITANT