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CAS No.: | 31460-32-9 |
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Name: | N-(2,5-DICHLOROPHENYL)MALEAMIC ACID |
Molecular Structure: | |
Formula: | C10H7Cl2NO3 |
Molecular Weight: | 260.076 |
Synonyms: | Maleanilicacid, 2',5'-dichloro- (6CI,8CI); |
Density: | 1.551 g/cm3 |
Melting Point: | 140-144 °C |
Boiling Point: | 476.5 °C at 760 mmHg |
Flash Point: | 242 °C |
PSA: | 66.40000 |
LogP: | 2.64570 |
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The 2-Butenoic acid,4-[(2,5-dichlorophenyl)amino]-4-oxo-, (Z)- (9CI), with the CAS registry number 31460-32-9, is also known as Maleanilicacid, 2',5'-dichloro- (6CI,8CI). This chemical's molecular formula is C10H7Cl2NO3 and molecular weight is 260.07. Its systematic name is called (2Z)-4-[(2,5-dichlorophenyl)amino]-4-oxobut-2-enoic acid. What's more, the product should be sealed and stored in cool, dry and well-ventilated place.
Physical properties of 2-Butenoic acid,4-[(2,5-dichlorophenyl)amino]-4-oxo-, (Z)- (9CI): (1)ACD/LogP: 2.66; (2)ACD/LogD (pH 5.5): -0.04; (3)ACD/LogD (pH 7.4): -1.04; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.33; (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: 1.65; (12)Molar Refractivity: 61.2 cm3; (13)Molar Volume: 167.6 cm3; (14)Surface Tension: 62.4 dyne/cm; (15)Density: 1.551 g/cm3; (16)Flash Point: 242 °C; (17)Enthalpy of Vaporization: 77.97 kJ/mol; (18)Boiling Point: 476.5 °C at 760 mmHg; (19)Vapour Pressure: 6.93E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(Cl)cc1NC(=O)/C=C\C(=O)O
(2)InChI: InChI=1/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-
(3)InChIKey: WSKTYRGKGHEEDM-ARJAWSKDBR