Benzeneacetic acid,4-fluoro-a-phenyl- supplier

Name
2-(4-FLUOROPHENYL)-2-PHENYLACETIC ACID
EINECS
CAS No. 723-69-3
Article Data2
CAS DataBase
Density 1.244 g/cm³
Solubility
Melting Point 104-106 °C
Formula C₁₄H₁₁FO₂
Boiling Point 346.2 °C at 760 mmHg
Molecular Weight 230.23
Flash Point 163.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Aceticacid, (p-fluorophenyl)phenyl- (6CI,7CI,8CI);(p-Fluorophenyl)phenylacetic acid;(4-fluorophenyl)(phenyl)acetic acid;benzeneacetic acid, 4-fluoro-α-phenyl-;
PSA 37.30000
LogP 3.04220

Benzeneacetic acid,4-fluoro-a-phenyl- Specification

The Benzeneacetic acid,4-fluoro-a-phenyl-, with the CAS registry number 723-69-3, has the systematic name of (4-fluorophenyl)(phenyl)acetic acid. And the molecular formula of this chemical is C₁₄H₁₁FO₂. It is a kind of irritant chemical, and also called 2-(4-fluorophenyl)-2-phenylacetic acid.

The physical properties of Benzeneacetic acid,4-fluoro-a-phenyl- are as following: (1)ACD/LogP: 3.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.58; (4)ACD/LogD (pH 7.4): ; (5)ACD/BCF (pH 5.5): 3.58; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 28.06; (8)ACD/KOC (pH 7.4): 1; (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: 1.582; (14)Molar Refractivity: 61.76 cm³; (15)Molar Volume: 184.9 cm³; (16)Polarizability: 24.48×10^-24cm³; (17)Surface Tension: 47.5 dyne/cm; (18)Density: 1.244 g/cm³; (19)Flash Point: 163.2 °C; (20)Enthalpy of Vaporization: 62.3 kJ/mol; (21)Boiling Point: 346.2 °C at 760 mmHg; (22)Vapour Pressure: 2.22E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1)C(C(=O)O)c2ccccc2
(2)InChI: InChI=1/C14H11FO2/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: PKCHPRKLZKXQHF-UHFFFAOYAW

Product Name

2-(4-FLUOROPHENYL)-2-PHENYLACETIC ACID

Benzeneacetic acid,4-fluoro-a-phenyl- Specification

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