CAS No.22494-48-0,(4'-CHLOROBIPHENYL-4-YL)-METHANOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	22494-48-0
Name:	(4'-CHLOROBIPHENYL-4-YL)-METHANOL
Article Data:	6

Formula:	C₁₃H₁₁ClO
Molecular Weight:	218.683
Synonyms:	4-Biphenylmethanol,4'-chloro- (8CI);4-(4-Chlorophenyl)benzyl alcohol;
Density:	1.211g/cm³
Boiling Point:	367.084 °C at 760 mmHg
Flash Point:	175.806 °C
PSA:	20.23000
LogP:	3.49930

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Specification

The [1,1'-Biphenyl]-4-methanol,4'-chloro-, with CAS registry number 22494-48-0, belongs to the following product category: Pharmacetical. It has the systematic name of (4'-chlorobiphenyl-4-yl)methanol. Besides this, it is also called [4-(4-Chlorophenyl)phenyl]methan-1-ol. And the chemical formula of this chemical is C₁₃H₁₁ClO.

Physical properties of [1,1'-Biphenyl]-4-methanol,4'-chloro-: (1)ACD/LogP: 3.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 211; (6)ACD/BCF (pH 7.4): 211; (7)ACD/KOC (pH 5.5): 1607; (8)ACD/KOC (pH 7.4): 1607; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 20.23 Å²; (13)Index of Refraction: 1.605; (14)Molar Refractivity: 62.191 cm³; (15)Molar Volume: 180.485 cm³; (16)Polarizability: 24.654×10^-24cm³; (17)Surface Tension: 46.003 dyne/cm; (18)Density: 1.212 g/cm³; (19)Flash Point: 175.806 °C; (20)Enthalpy of Vaporization: 64.735 kJ/mol; (21)Boiling Point: 367.084 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1)c2ccc(CO)cc2
(2)InChI: InChI=1/C13H11ClO/c14-13-7-5-12(6-8-13)11-3-1-10(9-15)2-4-11/h1-8,15H,9H2
(3)InChIKey: SKCQMBTWYIRYCY-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C13H11ClO/c14-13-7-5-12(6-8-13)11-3-1-10(9-15)2-4-11/h1-8,15H,9H2
(5)Std. InChIKey: SKCQMBTWYIRYCY-UHFFFAOYSA-N