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

Name
(4'-CHLORO-BIPHENYL-4-YL)-ACETIC ACID
EINECS
CAS No. 5525-72-4
Article Data5
CAS DataBase
Density 1.27 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₁ClO₂
Boiling Point 415 °C at 760 mmHg
Molecular Weight 246.693
Flash Point 204.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Biphenylaceticacid, 4'-chloro- (8CI);Acetic acid, (4'-chloro-4-biphenylyl)- (7CI);4'-Chloro-4-biphenylylacetic acid;
PSA 37.30000
LogP 3.63410

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

The [1,1'-Biphenyl]-4-aceticacid, 4'-chloro-, with CAS registry number 5525-72-4, has the systematic name of (4'-chlorobiphenyl-4-yl)acetic acid. Besides this, it is also called 4-Biphenyl-4'-chloro-acetic acid. And the chemical formula of this chemical is C₁₄H₁₁ClO₂.

Physical properties of [1,1'-Biphenyl]-4-aceticacid, 4'-chloro-: (1)ACD/LogP: 3.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.54; (4)ACD/LogD (pH 7.4): 0.76; (5)ACD/BCF (pH 5.5): 24.56; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 147.71; (8)ACD/KOC (pH 7.4): 2.47; (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: 1.604; (14)Molar Refractivity: 66.85 cm³; (15)Molar Volume: 194.1 cm³; (16)Polarizability: 26.5×10^-24cm³; (17)Surface Tension: 49.5 dyne/cm; (18)Density: 1.27 g/cm³; (19)Flash Point: 204.8 °C; (20)Enthalpy of Vaporization: 70.43 kJ/mol; (21)Boiling Point: 415 °C at 760 mmHg; (22)Vapour Pressure: 1.25E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ccc(c1ccc(cc1)CC(=O)O)cc2
(2)InChI: InChI=1/C14H11ClO2/c15-13-7-5-12(6-8-13)11-3-1-10(2-4-11)9-14(16)17/h1-8H,9H2,(H,16,17)
(3)InChIKey: LDEMYLVVZJLDFL-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C14H11ClO2/c15-13-7-5-12(6-8-13)11-3-1-10(2-4-11)9-14(16)17/h1-8H,9H2,(H,16,17)
(5)Std. InChIKey: LDEMYLVVZJLDFL-UHFFFAOYSA-N

Product Name

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

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

Related Products

Hot Products