Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3'-Chlorobiphenyl-4-carboxylic acid |
EINECS | N/A |
CAS No. | 5728-43-8 | Density | 1.298g/cm3 |
PSA | 37.30000 | LogP | 3.70520 |
Solubility | N/A | 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 | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
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-; |
Article Data | 14 |
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