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CAS No.: | 103754-45-6 |
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Name: | 2-(2,4-DICHLORO-PHENYL)-SUCCINIC ACID |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C10H8Cl2O4 |
Molecular Weight: | 263.077 |
Synonyms: | Butanedioicacid, (2,4-dichlorophenyl)- (9CI);Succinic acid, (2,4-dichlorophenyl)- (6CI); |
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 |
PSA: | 74.60000 |
LogP: | 2.63630 |
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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 %.
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