(2Z)-4-[(2,5-Dichlorophenyl)Amino]-4-Oxo-2-Butenoic Acid
[CAS# 306935-76-2]

Identification

• Name: (2Z)-4-[(2,5-Dichlorophenyl)Amino]-4-Oxo-2-Butenoic Acid
• Synonyms: (2{Z})-4-[(2,5-dichlorophenyl)amino]-4-oxobut-2-enoic acid; (2Z)-3-[N-(2,5-dichlorophenyl)carbamoyl]prop-2-enoic acid; 3-(2,5-Dichloro-phenylcarbamoyl)-acrylic acid
• Molecular Formula: C₁₀H₇Cl₂NO₃
• Molecular Weight: 260.07
• CAS Registry Number: 306935-76-2
• SMILES: C1=CC(=C(C=C1Cl)NC(=O)/C=C\C(=O)O)Cl
• InChI: 1S/C10H7Cl2NO3/c11-6-1-2-7(12)8(5-6)13-9(14)3-4-10(15)16/h1-5H,(H,13,14)(H,15,16)/b4-3-
• InChIKey: WSKTYRGKGHEEDM-ARJAWSKDSA-N

Properties

• Density: 1.6±0.1g/cm³ (Cal.)
• Melting point: 140-144°C (Expl.)
• Boiling point: 476.5±45.0°C at 760 mmHg (Cal.)
• Flash point: 242.0±28.7°C (Cal.)
• Refractive index: 1.651 (Cal.)

Safety Data

• Safety Code: S26;S37;S60
• Risk Code: R36/37/38
• Hazard Symbol: X
• Safety Description: WARNING: Irritates lungs, eyes, skin

References

• (1): K. Shakuntala, B. Thimme Gowda, Miroslav Tokarcík and Jozef Kozísek . N-(2,5-Dichlorophenyl)maleamic acid , Acta Cryst (2009). E65, o3119 Â