[1,1'-Biphenyl]-4-carboxylicacid, 2'-chloro- supplier

Name
2'-CHLORO-BIPHENYL-4-CARBOXYLIC ACID
EINECS
CAS No. 3808-93-3
Density 1.298g/cm³
Solubility
Melting Point 247 °C
Formula C₁₃H₉ClO₂
Boiling Point 382.4 °C at 760 mmHg
Molecular Weight 232.666
Flash Point 185.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 4-Biphenylcarboxylicacid, 2'-chloro- (7CI,8CI);2'-Chloro-4-biphenylcarboxylic acid;2'-Chloro-[1,1'-biphenyl]-4-carboxylic acid;F 1893;
PSA 37.30000
LogP 3.70520

[1,1'-Biphenyl]-4-carboxylicacid, 2'-chloro- Specification

The [1,1'-Biphenyl]-4-carboxylicacid, 2'-chloro-, with CAS registry number 3808-93-3, belongs to the following product category: Pharmacetical. It has the systematic name of 2'-chlorobiphenyl-4-carboxylic acid. And the chemical formula of this chemical is C₁₃H₉ClO₂.

Physical properties of [1,1'-Biphenyl]-4-carboxylicacid, 2'-chloro-: (1)ACD/LogP: 4.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.79; (4)ACD/LogD (pH 7.4): 1.3; (5)ACD/BCF (pH 5.5): 35.29; (6)ACD/BCF (pH 7.4): 1.13; (7)ACD/KOC (pH 5.5): 174.34; (8)ACD/KOC (pH 7.4): 5.6; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.616; (14)Molar Refractivity: 62.66 cm³; (15)Molar Volume: 179.1 cm³; (16)Polarizability: 24.84×10^-24cm³; (17)Surface Tension: 50.8 dyne/cm; (18)Density: 1.298 g/cm³; (19)Flash Point: 185.1 °C; (20)Enthalpy of Vaporization: 66.54 kJ/mol; (21)Boiling Point: 382.4 °C at 760 mmHg; (22)Vapour Pressure: 1.57E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ccccc2c1ccc(C(=O)O)cc1
(2)InChI: InChI=1/C13H9ClO2/c14-12-4-2-1-3-11(12)9-5-7-10(8-6-9)13(15)16/h1-8H,(H,15,16)
(3)InChIKey: AOTYKBXXCYCXRZ-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C13H9ClO2/c14-12-4-2-1-3-11(12)9-5-7-10(8-6-9)13(15)16/h1-8H,(H,15,16)
(5)Std. InChIKey: AOTYKBXXCYCXRZ-UHFFFAOYSA-N

Product Name

2'-CHLORO-BIPHENYL-4-CARBOXYLIC ACID

[1,1'-Biphenyl]-4-carboxylicacid, 2'-chloro- Specification

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