[1,1'-Biphenyl]-4-aceticacid, 3'-chloro- supplier

Name
(3'-CHLORO-BIPHENYL-4-YL)-ACETIC ACID
EINECS
CAS No. 5001-94-5
Article Data3
CAS DataBase
Density 1.27 g/cm³
Solubility
Melting Point 129-131 °C
Formula C₁₄H₁₁ClO₂
Boiling Point 418.5 °C at 760 mmHg
Molecular Weight 246.69
Flash Point 206.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Acetic acid, (3'-chloro-4-biphenylyl)- (7CI);4-Biphenylaceticacid, 3'-chloro- (8CI);4-Biphenyl-3'-chloro-acetic acid;(3'-Chloro-biphenyl-4-yl)-acetic acid;
PSA 37.30000
LogP 3.63410

[1,1'-Biphenyl]-4-aceticacid, 3'-chloro- Specification

The CAS register number of [1,1'-Biphenyl]-4-aceticacid, 3'-chloro- is 5001-94-5. It also can be called as 4-Biphenyl-3'-chloro-acetic acid and the systematic name about this chemical is (3'-chlorobiphenyl-4-yl)acetic acid. The molecular formula about this chemical is C₁₄H₁₁ClO₂ and the molecular weight is 246.69.

Physical properties about [1,1'-Biphenyl]-4-aceticacid, 3'-chloro- are: (1)ACD/LogP: 3.83; (2)ACD/LogD (pH 5.5): 2.55; (3)ACD/LogD (pH 7.4): 0.77; (4)ACD/BCF (pH 5.5): 24.98; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 150.54; (7)ACD/KOC (pH 7.4): 2.5; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 26.3 Å²; (12)Index of Refraction: 1.604; (13)Molar Refractivity: 66.85 cm³; (14)Molar Volume: 194.1 cm³; (15)Polarizability: 26.5x10^-24cm³; (16)Surface Tension: 49.5 dyne/cm; (17)Density: 1.27 g/cm³; (18)Flash Point: 206.9 °C; (19)Enthalpy of Vaporization: 70.85 kJ/mol; (20)Boiling Point: 418.5 °C at 760 mmHg; (21)Vapour Pressure: 9.45E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc(c1ccc(cc1)CC(=O)O)ccc2
(2)InChI: InChI=1/C14H11ClO2/c15-13-3-1-2-12(9-13)11-6-4-10(5-7-11)8-14(16)17/h1-7,9H,8H2,(H,16,17)
(3)InChIKey: OFYYGQTZEFSDIM-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C14H11ClO2/c15-13-3-1-2-12(9-13)11-6-4-10(5-7-11)8-14(16)17/h1-7,9H,8H2,(H,16,17)
(5)Std. InChIKey: OFYYGQTZEFSDIM-UHFFFAOYSA-N

Product Name

(3'-CHLORO-BIPHENYL-4-YL)-ACETIC ACID

[1,1'-Biphenyl]-4-aceticacid, 3'-chloro- Specification

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