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

Name
4'-CHLORO-BIPHENYL-3-CARBOXYLIC ACID
EINECS
CAS No. 4655-10-1
Density 1.298 g/cm³
Solubility
Melting Point 248-250 °C(Solv: ethanol (64-17-5))
Formula C₁₃H₉ClO₂
Boiling Point 417.4 °C at 760 mmHg
Molecular Weight 232.666
Flash Point 206.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 3-Biphenylcarboxylicacid, 4'-chloro- (8CI);3-(4-Chlorophenyl)benzoic acid;4'-Chlorobiphenyl-3-carboxylic acid;
PSA 37.30000
LogP 3.70520

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

The [1, 1'-Biphenyl]-3-carboxylicacid, 4'-chloro-, with the CAS registry number of 4655-10-1, is also known as 3-(4-Chlorophenyl)benzoic acid. This chemical's molecular formula is C₁₃H₉ClO₂ and molecular weight is 232.66. What's more, its systematic name is called 4'-Chlorobiphenyl-3-carboxylic acid.

Physical properties about [1, 1'-Biphenyl]-3-carboxylicacid, 4'-chloro- are: (1)ACD/LogP: 4.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.95; (4)ACD/LogD (pH 7.4): 1.47; (5)ACD/BCF (pH 5.5): 46.15; (6)ACD/BCF (pH 7.4): 1.52; (7)ACD/KOC (pH 5.5): 208.65; (8)ACD/KOC (pH 7.4): 6.87; (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)Surface Tension: 50.8 dyne/cm; (17)Density: 1.298 g/cm³; (18)Flash Point: 206.2 °C; (19)Enthalpy of Vaporization: 70.72 kJ/mol; (20)Boiling Point: 417.4 °C at 760 mmHg; (21)Vapour Pressure: 1.03E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc2ccc(c1cccc(C(=O)O)c1)cc2
(2) InChI: InChI=1/C13H9ClO2/c14-12-6-4-9(5-7-12)10-2-1-3-11(8-10)13(15)16/h1-8H,(H,15,16)
(3) InChIKey: OWFMSKZVCPGDEJ-UHFFFAOYAL

Product Name

4'-CHLORO-BIPHENYL-3-CARBOXYLIC ACID

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

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