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| CAS No.: | 135689-93-9 |
|---|---|
| Name: | 4-(2-Cyanophenyl)benzaldehyde |
| Article Data: | 19 |
| Molecular Structure: | |
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| Formula: | C14H9NO |
| Molecular Weight: | 207.232 |
| Synonyms: | 2'-Cyano-1,1'-biphenyl-4-carboxaldehyde;2'-Cyano-4-formylbiphenyl;4'-Formyl[1,1'-Biphenyl]-2-carbonitrile;4'-Formylbiphenyl-2-carbonitrile; |
| Density: | 1.19 g/cm3 |
| Boiling Point: | 412.1 °C at 760 mmHg |
| Flash Point: | 203 °C |
| PSA: | 40.86000 |
| LogP: | 3.03778 |
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Specification
This chemical is called [1,1'-Biphenyl]-2-carbonitrile,4'-formyl-, and it can also be named as 2-(4-Formylphenyl)benzenecarbonitrile. The molecular formula of this chemical is C14H9NO. The CAS registry number of this chemical is 135689-93-9, and its systematic name is 4'-Formylbiphenyl-2-carbonitrile.
Other characteristics of the [1,1'-Biphenyl]-2-carbonitrile,4'-formyl- can be summarised as followings: (1)ACD/LogP: 3.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.03; (4)ACD/LogD (pH 7.4): 3.03; (5)ACD/BCF (pH 5.5): 119.09; (6)ACD/BCF (pH 7.4): 119.09; (7)ACD/KOC (pH 5.5): 1065.41; (8)ACD/KOC (pH 7.4): 1065.41; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 40.86 Å2; (13)Index of Refraction: 1.62; (14)Molar Refractivity: 60.99 cm3; (15)Molar Volume: 173.4 cm3; (16)Polarizability: 24.18×10-24 cm3; (17)Surface Tension: 54.9 dyne/cm; (18)Density: 1.19 g/cm3; (19)Flash Point: 203 °C; (20)Enthalpy of Vaporization: 66.47 kJ/mol; (21)Boiling Point: 412.1 °C at 760 mmHg; (22)Vapour Pressure: 5.31E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=Cc1ccc(cc1)c2ccccc2C#N
2.InChI: InChI=1/C14H9NO/c15-9-13-3-1-2-4-14(13)12-7-5-11(10-16)6-8-12/h1-8,10H
3.InChIKey: GOMLISZHRJBRGK-UHFFFAOYAK