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CAS No.: | 223575-76-6 |
---|---|
Name: | 2'-CHLORO-BIPHENYL-2-CARBALDEHYDE |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C13H9ClO |
Molecular Weight: | 216.667 |
Synonyms: | 2-(2-Chlorophenyl)benzaldehyde; |
Density: | 1.214 g/cm3 |
Boiling Point: | 344.3 °C at 760 mmHg |
Flash Point: | 180.3 °C |
Hazard Symbols: | Xi |
Risk Codes: | 22-41-43 |
Safety: | 26-36/37-39 |
PSA: | 17.07000 |
LogP: | 3.81950 |
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The [1,1'-Biphenyl]-2-carboxaldehyde,2'-chloro-, with the CAS registry number of 223575-76-6, is also known as 2-(2-Chlorophenyl)benzaldehyde. This chemical's molecular formula is C13H9ClO and molecular weight is 216.66. What's more, its systematic name is 2'-Chlorobiphenyl-2-carbaldehyde.
Physical properties about the [1,1'-Biphenyl]-2-carboxaldehyde,2'-chloro- are: (1)ACD/LogP: 3.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.58; (4)ACD/LogD (pH 7.4): 3.58; (5)ACD/BCF (pH 5.5): 308.1; (6)ACD/BCF (pH 7.4): 308.1; (7)ACD/KOC (pH 5.5): 2103.82; (8)ACD/KOC (pH 7.4): 2103.82; (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: 1.618; (14)Molar Refractivity: 62.49 cm3; (15)Molar Volume: 178.3 cm3; (16)Surface Tension: 44.8 dyne/cm; (17)Density: 1.214 g/cm3; (18)Flash Point: 180.3 °C; (19)Enthalpy of Vaporization: 58.82 kJ/mol; (20)Boiling Point: 344.3 °C at 760 mmHg; (21)Vapour Pressure: 6.65E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc2ccccc2c1c(C=O)cccc1
(2) InChI: InChI=1/C13H9ClO/c14-13-8-4-3-7-12(13)11-6-2-1-5-10(11)9-15/h1-9H
(3) InChIKey: VNKJIEIGSAHDGE-UHFFFAOYAE