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476490-05-8

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Basic Information
CAS No.: 476490-05-8
Name: 3',4'-DICHLOROBIPHENYL-3-CARBALDEHYDE
Molecular Structure:
Molecular Structure of 476490-05-8 (3',4'-DICHLOROBIPHENYL-3-CARBALDEHYDE)
Formula: C13H8Cl2O
Molecular Weight: 251.112
Synonyms: 3',4'-Dichloro[1,1'-biphenyl]-3-carboxaldehyde;3',4'-dichloro-1,1'-biphenyl-3-carbaldehyde;3',4'-Dichloro-3-biphénylcarbaldéhyde;
EINECS: 200-258-5
Density: 1.319 g/cm3
Boiling Point: 389.9 °C at 760 mmHg
Flash Point: 164.9 °C
PSA: 17.07000
LogP: 4.47290
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Specification

The 3',4'-Dichlorobiphenyl-3-carbaldehyde with the CAS number 476490-05-8 is also called [1,1'-Biphenyl]-3-carboxaldehyde,3',4'-dichloro-. The IUPAC name is 3-(3,4-dichlorophenyl)benzaldehyde. Its molecular formula is C13H8Cl2O. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 3',4'-Dichlorobiphenyl-3-carbaldehyde are: (1)ACD/LogP: 4.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.69; (4)ACD/LogD (pH 7.4): 4.69; (5)ACD/BCF (pH 5.5): 2153.11; (6)ACD/BCF (pH 7.4): 2153.11; (7)ACD/KOC (pH 5.5): 8460.7; (8)ACD/KOC (pH 7.4): 8460.7; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.626; (14)Molar Refractivity: 67.38 cm3; (15)Molar Volume: 190.2 cm3; (16)Polarizability: 26.71×10-24cm3; (17)Surface Tension: 46.6 dyne/cm; (18)Enthalpy of Vaporization: 63.94 kJ/mol; (19)Vapour Pressure: 2.75×10-6 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ccc(c1cccc(C=O)c1)cc2Cl
(2)InChI: InChI=1/C13H8Cl2O/c14-12-5-4-11(7-13(12)15)10-3-1-2-9(6-10)8-16/h1-8H
(3)InChIKey: IEQLUDRWODFAGL-UHFFFAOYAJ