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88875-60-9

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Basic Information
CAS No.: 88875-60-9
Name: 2-(3,4-DICHLOROPHENYL)-2-PHENYLACETIC ACID
Molecular Structure:
Molecular Structure of 88875-60-9 (2-(3,4-DICHLOROPHENYL)-2-PHENYLACETIC ACID)
Formula: C14H10Cl2O2
Molecular Weight: 281.138
Synonyms: 2-(3,4-DICHLOROPHENYL)-2-PHENYLACETIC ACID
Density: 1.373g/cm3
Boiling Point: 403.5 °C at 760 mmHg
Flash Point: 197.8 °C
PSA: 37.30000
LogP: 4.20990
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Specification

The Benzeneacetic acid,3,4-dichloro-a-phenyl-, with CAS registry number 88875-60-9, has the systematic name of (3,4-dichlorophenyl)(phenyl)acetic acid. And its IUPAC name is 2-(3,4-dichlorophenyl)-2-phenylacetic acid. The chemical formula of this chemical is C14H10Cl2O2.

Physical properties of Benzeneacetic acid,3,4-dichloro-a-phenyl-: (1)ACD/LogP: 4.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.33; (4)ACD/LogD (pH 7.4): 0.8; (5)ACD/BCF (pH 5.5): 11.49; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 54.41; (8)ACD/KOC (pH 7.4): 1.62; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.616; (14)Molar Refractivity: 71.55 cm3; (15)Molar Volume: 204.6 cm3; (16)Polarizability: 28.36×10-24cm3; (17)Surface Tension: 52.3 dyne/cm; (18)Enthalpy of Vaporization: 69.05 kJ/mol; (19)Vapour Pressure: 3.1E-07 mmHg at 25°C.

Preparation: this chemical can be prepared by a-(3,4-dichlorophenyl)phenylacetonitrile. This reaction will need reagents H2SO4/AcOH/H2O (1:1:1). The reaction time is 5 hour(s). The yield is about 82%.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1Cl)C(c2ccccc2)C(=O)O
(2)InChI: InChI=1/C14H10Cl2O2/c15-11-7-6-10(8-12(11)16)13(14(17)18)9-4-2-1-3-5-9/h1-8,13H,(H,17,18)
(3)InChIKey: XHOSLHVZDULGLF-UHFFFAOYAX