2-Butenoic acid,4-[(3-chlorophenyl)amino]-4-oxo-, (2Z)- supplier

Name
N-(3-CHLOROPHENYL)MALEAMIC ACID
EINECS -0
CAS No. 18196-80-0
Article Data12
CAS DataBase
Density 1.448 g/cm³
Solubility
Melting Point 197-198 °C
Formula C₁₀H₈ClNO₃
Boiling Point 463.9 °C at 760 mmHg
Molecular Weight 225.631
Flash Point 234.3 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols R36/37/38:Irritating to eyes, respiratory system and skin.;
Synonyms 2-Butenoicacid, 4-[(3-chlorophenyl)amino]-4-oxo-, (Z)-;Maleanilic acid, 3'-chloro-(6CI,8CI);3'-Chloromaleanilic acid;N-(3-Chlorophenyl) maleamic acid;
PSA 66.40000
LogP 1.99230

2-Butenoic acid,4-[(3-chlorophenyl)amino]-4-oxo-, (2Z)- Specification

The 2-Butenoic acid,4-[(3-chlorophenyl)amino]-4-oxo-, (2Z)-, with the CAS registry number 18196-80-0, is also known as NSC62644. This chemical's molecular formula is C₁₀H₈ClNO₃ and molecular weight is 225.62842. Its IUPAC name is called (Z)-4-(3-chloroanilino)-4-oxobut-2-enoic acid.

Physical properties of 2-Butenoic acid,4-[(3-chlorophenyl)amino]-4-oxo-, (2Z)-: (1)ACD/LogP: 2.22; (2)ACD/LogD (pH 5.5): -0.42; (3)ACD/LogD (pH 7.4): -1.47; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.642; (12)Molar Refractivity: 56.3 cm³; (13)Molar Volume: 155.7 cm³; (14)Surface Tension: 61.1 dyne/cm; (15)Density: 1.448 g/cm³; (16)Flash Point: 234.3 °C; (17)Enthalpy of Vaporization: 76.41 kJ/mol; (18)Boiling Point: 463.9 °C at 760 mmHg; (19)Vapour Pressure: 2.1E-09 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC(=C1)Cl)NC(=O)C=CC(=O)O
(2)Isomeric SMILES: C1=CC(=CC(=C1)Cl)NC(=O)/C=C\C(=O)O
(3)InChI: InChI=1S/C10H8ClNO3/c11-7-2-1-3-8(6-7)12-9(13)4-5-10(14)15/h1-6H,(H,12,13)(H,14,15)/b5-4-
(4)InChIKey: VGCOUGYIWJRLKT-PLNGDYQASA-N

Product Name

N-(3-CHLOROPHENYL)MALEAMIC ACID

2-Butenoic acid,4-[(3-chlorophenyl)amino]-4-oxo-, (2Z)- Specification

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