(2Z)-4-[(3,4-Dichlorophenyl)Amino]-4-Oxo-2-Butenoic Acid
[CAS# 21395-61-9]

Identification

• Name: (2Z)-4-[(3,4-Dichlorophenyl)Amino]-4-Oxo-2-Butenoic Acid
• Synonyms: (2{Z})-4-[(3,4-dichlorophenyl)amino]-4-oxobut-2-enoic acid; (2Z)-3-[N-(3,4-dichlorophenyl)carbamoyl]prop-2-enoic acid; 4-(3,4-Dichloroanilino)-4-oxo-2-butenoic acid
• Molecular Formula: C₁₀H₇Cl₂NO₃
• Molecular Weight: 260.07
• CAS Registry Number: 21395-61-9
• SMILES: C1=CC(=C(C=C1NC(=O)/C=C\C(=O)O)Cl)Cl
• InChI: 1S/C10H7Cl2NO3/c11-7-2-1-6(5-8(7)12)13-9(14)3-4-10(15)16/h1-5H,(H,13,14)(H,15,16)/b4-3-
• InChIKey: YMYKNYVBUCMJOG-ARJAWSKDSA-N

Properties

• Density: 1.6±0.1g/cm³ (Cal.)
• Melting point: 205°C (Expl.)
• Boiling point: 488.1±45.0°C at 760 mmHg (Cal.)
• Flash point: 249.0±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: CAUTION: May irritate eyes, skin, and respiratory tract

References

• (1): B. Thimme Gowda, Miroslav Tokarcík, K. Shakuntala, Jozef Kozísek and Hartmut Fuess . N-(3,4-Dichlorophenyl)maleamic acid , Acta Cryst (2010). E66, o1642 Â