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103754-45-6

Basic Information
CAS No.: 103754-45-6
Name: Butanedioic acid,2-(2,4-dichlorophenyl)-
Article Data: 3
Cas Database
Molecular Structure:
Molecular Structure of 103754-45-6 (Butanedioic acid,2-(2,4-dichlorophenyl)-)
Formula: C10H8Cl2O4
Molecular Weight: 263.077
Synonyms: Butanedioicacid, (2,4-dichlorophenyl)- (9CI);Succinic acid, (2,4-dichlorophenyl)- (6CI);
EINECS: N/A
Density: 1.555 g/cm3
Melting Point: 175 °C(Solv: water (7732-18-5))
Boiling Point: 370.2 °C at 760 mmHg
Flash Point: 177.7 °C
Solubility: N/A
Appearance: N/A
Hazard Symbols: N/A
Risk Codes: N/A
Safety:
Transport Information: N/A
PSA: 74.60000
LogP: 2.63630
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Specification

The Butanedioic acid,2-(2,4-dichlorophenyl)-, with the CAS registry number 103754-45-6, is also known as 2-(2,4-Dichlorophenyl)succinic acid. This chemical's molecular formula is C10H8Cl2O4 and molecular weight is 263.07. What's more, its systematic name is 2-(2,4-Dichlorophenyl)butanedioic acid.

Physical properties about Butanedioic acid,2-(2,4-dichlorophenyl)- are: (1)ACD/LogP: 2.42; (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: 1.601; (12)Molar Refractivity: 57.98 cm3; (13)Molar Volume: 169.1 cm3; (14)Polarizability: 22.98 ×10-24 cm3; (15)Surface Tension: 63.4 dyne/cm; (16)Density: 1.555 g/cm3; (17)Flash Point: 177.7 °C; (18)Enthalpy of Vaporization: 65.1 kJ/mol; (19)Boiling Point: 370.2 °C at 760 mmHg; (20)Vapour Pressure: 3.91E-06 mmHg at 25 °C.

Preparation of Butanedioic acid,2-(2,4-dichlorophenyl)-: this chemical can be prepared by Chloroacetic acid and (2,4-Dichloro-phenyl)-acetonitrile. This reaction needs reagents K2CO3, KOH and solvent Dimethylformamide at temperature of 20-25 °C. The reaction time is 2 hours. The yield is 84 %.

Butanedioic acid,2-(2,4-dichlorophenyl)- can be prepared by Chloroacetic acid and (2,4-Dichloro-phenyl)-acetonitrile

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc(Cl)ccc1C(C(=O)O)CC(=O)O
(2) InChI: InChI=1/C10H8Cl2O4/c11-5-1-2-6(8(12)3-5)7(10(15)16)4-9(13)14/h1-3,7H,4H2,(H,13,14)(H,15,16)
(3) InChIKey: SUQQTPHUAHBHIF-UHFFFAOYAE