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Name |
[1,1'-Biphenyl]-4-methanol,2'-chloro- |
EINECS | N/A |
CAS No. | 109524-03-0 | Density | 1.211 g/cm3 |
PSA | 20.23000 | LogP | 3.49930 |
Solubility | N/A | Melting Point |
N/A |
Formula | C13H11ClO | Boiling Point | 351.8 °C at 760 mmHg |
Molecular Weight | 218.683 | Flash Point | 166.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(2'-Chlorobiphenyl-4-yl)methanol; |
Article Data | 1 |
This chemical is called [1,1'-Biphenyl]-4-methanol,2'-chloro-, and it can also be named as (2'-Chlorobiphenyl-4-yl)-methanol. With the molecular formula of C13H11ClO, its molecular weight is 218.68. The CAS registry number of this chemical is 109524-03-0, and its product category is pharmacetical.
Other characteristics of the [1,1'-Biphenyl]-4-methanol,2'-chloro- can be summarised as followings: (1)ACD/LogP: 3.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.27; (4)ACD/LogD (pH 7.4): 3.27; (5)ACD/BCF (pH 5.5): 180.03; (6)ACD/BCF (pH 7.4): 180.03; (7)ACD/KOC (pH 5.5): 1432.14; (8)ACD/KOC (pH 7.4): 1432.14; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.605; (14)Molar Refractivity: 62.19 cm3; (15)Molar Volume: 180.4 cm3; (16)Polarizability: 24.65×10-24 cm3; (17)Surface Tension: 46 dyne/cm; (18)Density: 1.211 g/cm3; (19)Flash Point: 166.5 °C; (20)Enthalpy of Vaporization: 62.95 kJ/mol; (21)Boiling Point: 351.8 °C at 760 mmHg; (22)Vapour Pressure: 1.49E-05 mmHg at 25°C.
Production method of this chemical: The [1,1'-Biphenyl]-4-methanol,2'-chloro- could be obtained by the reactant of 2'-Chloro-biphenyl-4-carboxylic acid methyl ester. This reaction needs the solvent of LiAlH4. The yield is 48 %.
Uses of this chemical: The 2'-Chlorobiphenyl-4-carbaldehyde could be obtained by the reactant of [1,1'-Biphenyl]-4-methanol,2'-chloro-. This reaction needs the reagent of pyridinium chlorochromate, and the solvent of CH2Cl2. The yield is 95 %. This reaction should be taken for 2 hours at the ambient temperature.
You can still convert the following datas into molecular structure:
1.SMILES: Clc2ccccc2c1ccc(cc1)CO
2.InChI: InChI=1/C13H11ClO/c14-13-4-2-1-3-12(13)11-7-5-10(9-15)6-8-11/h1-8,15H,9H2
3.InChIKey: GIVXJYFWUFXNEB-UHFFFAOYAH