Products Categories
CAS No.: | 39802-78-3 |
---|---|
Name: | 4-(2-CHLOROPHENYL)BENZALDEHYDE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C13H9ClO |
Molecular Weight: | 216.667 |
Synonyms: | Akos bar-0181; |
Density: | 1.214g/cm3 |
Boiling Point: | 338.9 °C at 760 mmHg |
Flash Point: | 178.3 °C |
PSA: | 17.07000 |
LogP: | 3.81950 |
What can I do for you?
Get Best Price
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