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18196-80-0

Basic Information
CAS No.: 18196-80-0
Name: N-(3-CHLOROPHENYL)MALEAMIC ACID
Article Data: 12
Molecular Structure:
Molecular Structure of 18196-80-0 (N-(3-CHLOROPHENYL)MALEAMIC ACID)
Formula: C10H8ClNO3
Molecular Weight: 225.631
Synonyms: 2-Butenoicacid, 4-[(3-chlorophenyl)amino]-4-oxo-, (Z)-;Maleanilic acid, 3'-chloro-(6CI,8CI);3'-Chloromaleanilic acid;N-(3-Chlorophenyl) maleamic acid;
EINECS: -0
Density: 1.448 g/cm3
Melting Point: 197-198 °C
Boiling Point: 463.9 °C at 760 mmHg
Flash Point: 234.3 °C
Hazard Symbols: R36/37/38:Irritating to eyes, respiratory system and skin.;
Risk Codes: 36/37/38
Safety: 26-36
PSA: 66.40000
LogP: 1.99230
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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