CAS No.6954-40-1,2-(2-CHLORO-PHENYL)-SUCCINIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	6954-40-1
Name:	2-(2-CHLORO-PHENYL)-SUCCINIC ACID

Formula:	C₁₀H₉ClO₄
Molecular Weight:	228.6291
Synonyms:	Butanedioicacid, (2-chlorophenyl)- (9CI);Succinic acid, (o-chlorophenyl)- (6CI,7CI);2-(2-Chlorophenyl)succinic acid;NSC 37764;2-(2-chlorophenyl)butanedioic acid;butanedioic acid, 2-(2-chlorophenyl)-;
Density:	1.454 g/cm³
Boiling Point:	336.4 °C at 760 mmHg
Flash Point:	157.3 °C
PSA:	74.60000
LogP:	1.98290

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Specification

The Butanedioic acid,2-(2-chlorophenyl)-, with the CAS registry number 6954-40-1, has the systematic name of 2-(2-chlorophenyl)butanedioic acid. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₀H₉ClO₄.

The characteristics of Butanedioic acid,2-(2-chlorophenyl)- are as followings: (1)ACD/LogP: 1.81; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 52.6 Å²; (11)Index of Refraction: 1.59; (12)Molar Refractivity: 53.09 cm³; (13)Molar Volume: 157.2 cm³; (14)Polarizability: 21.04×10^-24cm³; (15)Surface Tension: 62.2 dyne/cm; (16)Density: 1.454 g/cm³; (17)Flash Point: 157.3 °C; (18)Enthalpy of Vaporization: 61.17 kJ/mol; (19)Boiling Point: 336.4 °C at 760 mmHg; (20)Vapour Pressure: 4.41E-05 mmHg at 25°C.

Preparation of Butanedioic acid,2-(2-chlorophenyl)-: This chemical can be prepared by chloroacetic acid and (2-chloro-phenyl)-acetonitrile. And the yield is about 82.5%.

Uses of Butanedioic acid,2-(2-chlorophenyl)-: It can react with phenylhydrazine to produce 3-(2-chloro-phenyl)-1-phenylamino-pyrrolidine-2,5-dione. This reaction will need menstruum H₂O. The reaction time is 1.5 hours with temperature of 190-200°C, and the yield is about 68%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1ccccc1C(C(=O)O)CC(=O)O
(2)InChI: InChI=1/C10H9ClO4/c11-8-4-2-1-3-6(8)7(10(14)15)5-9(12)13/h1-4,7H,5H2,(H,12,13)(H,14,15)
(3)InChIKey: JKZMBINIIFRDHY-UHFFFAOYAL