2'-Chlorobiphenyl-4-carbaldehyde supplier

Name
4-(2-CHLOROPHENYL)BENZALDEHYDE
EINECS
CAS No. 39802-78-3
Article Data5
CAS DataBase
Density 1.214g/cm³
Solubility
Melting Point
Formula C₁₃H₉ClO
Boiling Point 338.9 °C at 760 mmHg
Molecular Weight 216.667
Flash Point 178.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Akos bar-0181;
PSA 17.07000
LogP 3.81950

2'-Chlorobiphenyl-4-carbaldehyde Specification

The 2'-Chlorobiphenyl-4-carbaldehyde, with the CAS registry number of 39802-78-3, is also known as Akos bar-0181. It belongs to the product category of pharmacetical. This chemical's molecular formula is C₁₃H₉ClO and molecular weight is 216.66. What's more, its IUPAC name is 4-(2-Chlorophenyl)benzaldehyde.

Physical properties about the 2'-Chlorobiphenyl-4-carbaldehyde are: (1)ACD/LogP: 4.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.31; (4)ACD/LogD (pH 7.4): 4.31; (5)ACD/BCF (pH 5.5): 1102.14; (6)ACD/BCF (pH 7.4): 1102.14; (7)ACD/KOC (pH 5.5): 5238.81; (8)#H bond acceptors: 1; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 17.07 Å²; (12)Index of Refraction: 1.618; (13)Molar Refractivity: 62.49 cm³; (14)Molar Volume: 178.3 cm³; (15)Surface Tension: 44.8 dyne/cm; (16)Density: 1.214 g/cm³; (17)Flash Point: 178.3 °C; (18)Enthalpy of Vaporization: 58.23 kJ/mol; (19)Boiling Point: 338.9 °C at 760 mmHg; (20)Vapour Pressure: 9.53E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES:Clc2ccccc2c1ccc(C=O)ccl
(2) InChI:InChI=1/C13H9ClO/c14-13-4-2-1-3-12(13)11-7-5-10(9-15)6-8-11/h1-9H
(3) InChIKey:PGMYZSDMJRFWKS-UHFFFAOYAV

Product Name

4-(2-CHLOROPHENYL)BENZALDEHYDE

2'-Chlorobiphenyl-4-carbaldehyde Specification

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