4-[(2-Fluoro-5-methylphenyl)amino]-4-oxobutanoic acid
[CAS# 904766-63-8]

Identification

• Name: 4-[(2-Fluoro-5-methylphenyl)amino]-4-oxobutanoic acid
• Synonyms: 3-[N-(2-fluoro-5-methylphenyl)carbamoyl]propanoic acid; 4-[(2-Fluoro-5-methylphenyl)amino]-4-oxobutanoic acid; 4-[(2-fluoro-5-methylphenyl)amino]-4-oxobutanoicacid
• Molecular Formula: C₁₁H₁₂FNO₃
• Molecular Weight: 225.22
• CAS Registry Number: 904766-63-8
• SMILES: CC1=CC(=C(C=C1)F)NC(=O)CCC(=O)O
• InChI: 1S/C11H12FNO3/c1-7-2-3-8(12)9(6-7)13-10(14)4-5-11(15)16/h2-3,6H,4-5H2,1H3,(H,13,14)(H,15,16)
• InChIKey: CHWRAGGSWHBHFW-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 438.0±40.0°C at 760 mmHg (Cal.)
• Flash point: 218.7±27.3°C (Cal.)
• Refractive index: 1.572 (Cal.)

Safety Data

• Safety Description: IRRITANT