Benzeneacetic acid,4-chloro-alpha-phenyl- supplier

Name
2-(4-CHLOROPHENYL)-2-PHENYLACETIC ACID
EINECS
CAS No. 21771-88-0
Article Data10
CAS DataBase
Density 1.28 g/cm³
Solubility
Melting Point 116-117 °C(Solv: benzene (71-43-2))
Formula C₁₄H₁₁ClO₂
Boiling Point 379 °C at 760 mmHg
Molecular Weight 246.693
Flash Point 183 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms (4-Chlorophenyl)(phenyl)acetic acid;
PSA 37.30000
LogP 3.55650

Benzeneacetic acid,4-chloro-alpha-phenyl- Specification

The Benzeneacetic acid,4-chloro-alpha-phenyl-, with the CAS registry number of 21771-88-0, is also known as (4-Chlorophenyl)(phenyl)acetic acid. This chemical's molecular formula is C₁₄H₁₁ClO₂ and molecular weight is 246.69. What's more, its IUPAC name is 2-(4-Chlorophenyl)-2-phenylacetic acid.

Physical properties about the Benzeneacetic acid,4-chloro-alpha-phenyl- are: (1)ACD/LogP: 3.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.03; (4)ACD/LogD (pH 7.4): 0.41; (5)ACD/BCF (pH 5.5): 7.48; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 44.77; (8)ACD/KOC (pH 7.4): 1.09; (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: 1.608; (14)Molar Refractivity: 66.66 cm³; (15)Molar Volume: 192.6 cm³; (16)Surface Tension: 50.8 dyne/cm; (17)Density: 1.28 g/cm³; (18)Flash Point: 183 °C; (19)Enthalpy of Vaporization: 66.14 kJ/mol; (20)Boiling Point: 379 °C at 760 mmHg; (21)Vapour Pressure: 2.02E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccc(cc1)C(C(=O)O)c2ccccc2
(2) InChI: InChI=1/C14H11ClO2/c15-12-8-6-11(7-9-12)13(14(16)17)10-4-2-1-3-5-10/h1-9,13H,(H,16,17)
(3) InChIKey: YSPUGNBNEKEGKB-UHFFFAOYAI

Product Name

2-(4-CHLOROPHENYL)-2-PHENYLACETIC ACID

Benzeneacetic acid,4-chloro-alpha-phenyl- Specification

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