3'-Chlorobiphenyl-4-carboxylic acid supplier

Name
3'-CHLORO-BIPHENYL-4-CARBOXYLIC ACID
EINECS
CAS No. 5728-43-8
Article Data14
CAS DataBase
Density 1.298g/cm³
Solubility
Melting Point 254-255 °C
Formula C₁₃H₉ClO₂
Boiling Point 402.3 °C at 760 mmHg
Molecular Weight 232.666
Flash Point 197.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 3'-Chloro-[1,1'-biphenyl]-4-carboxylic acid;3'-Chloro-1,1'-biphenyl-4-carboxylic acid;[1,1'-Biphenyl]-4-carboxylic acid, 3'-chloro-;
PSA 37.30000
LogP 3.70520

3'-Chlorobiphenyl-4-carboxylic acid Specification

The CAS register number of 3'-Chlorobiphenyl-4-carboxylic acid is 5728-43-8. It also can be called as [1,1'-Biphenyl]-4-carboxylic acid, 3'-chloro- and the IUPAC name about this chemical is 4-(3-chlorophenyl)benzoic acid. The molecular formula about this chemical is C₁₃H₉ClO₂ and the molecular weight is 232.66. It belongs to the Pharmacetical.

Physical properties about 3'-Chlorobiphenyl-4-carboxylic acid are: (1)ACD/LogP: 4.32; (2)ACD/LogD (pH 5.5): 2.91; (3)ACD/LogD (pH 7.4): 1.4; (4)ACD/BCF (pH 5.5): 43.92; (5)ACD/BCF (pH 7.4): 1.36; (6)ACD/KOC (pH 5.5): 207.69; (7)ACD/KOC (pH 7.4): 6.43; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 26.3Å²; (12)Index of Refraction: 1.616; (13)Molar Refractivity: 62.66 cm³; (14)Molar Volume: 179.1 cm³; (15)Polarizability: 24.84x10^-24cm³; (16)Surface Tension: 50.8 dyne/cm; (17)Enthalpy of Vaporization: 68.9 kJ/mol; (18)Boiling Point: 402.3 °C at 760 mmHg; (19)Vapour Pressure: 3.42E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc(c1ccc(C(=O)O)cc1)ccc2
(2)InChI: InChI=1/C13H9ClO2/c14-12-3-1-2-11(8-12)9-4-6-10(7-5-9)13(15)16/h1-8H,(H,15,16)
(3)InChIKey: SJIVTXJWSYIMDG-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C13H9ClO2/c14-12-3-1-2-11(8-12)9-4-6-10(7-5-9)13(15)16/h1-8H,(H,15,16)
(5)Std. InChIKey: SJIVTXJWSYIMDG-UHFFFAOYSA-N

Product Name

3'-CHLORO-BIPHENYL-4-CARBOXYLIC ACID

3'-Chlorobiphenyl-4-carboxylic acid Specification

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