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| CAS No.: | 93717-55-6 |
|---|---|
| Name: | 2-Cyano-4'-methylbiphenyl |
| Article Data: | 10 |
| Molecular Structure: | |
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|
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| Formula: | C14H11N |
| Molecular Weight: | 193.248 |
| Synonyms: | m-Tolunitrile,a-phenyl- (7CI);3-Benzylbenzonitrile;4'-Methylbiphenyl-2-carbonitrile;[1,1'-Biphenyl]-2-carbonitrile, 4'-methyl-;4'-Methyl[1,1'-biphenyl]-2-carbonitrile;Jsp001091; |
| EINECS: | 1312995-182-4 |
| Density: | 1.096 g/cm3 |
| Melting Point: | 49-53 °C |
| Boiling Point: | 356.8 °C at 760 mmHg |
| Flash Point: | 170.4 °C |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 36/37/38-20/21/22 |
| Safety: | 36/37/39-26-22 |
| PSA: | 23.79000 |
| LogP: | 3.53368 |
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Specification
The 2-Cyano-4'-methylbiphenyl with CAS registry number of 93717-55-6 is also known as Benzonitrile,3-(phenylmethyl)-. The systematic name is 4'-Methylbiphenyl-2-carbonitrile. In addition, the formula is C14H11N and the molecular weight is 193.24. This chemical can be used as a pharmaceutical intermediate for the synthesis of new classes of antihypertensive drugs losartan.
Physical properties about 2-Cyano-4'-methylbiphenyl are: (1)ACD/LogP: 3.64; (2)ACD/LogD (pH 5.5): 3.64; (3)ACD/LogD (pH 7.4): 3.64; (4)ACD/BCF (pH 5.5): 345.35; (5)ACD/BCF (pH 7.4): 345.35; (6)ACD/KOC (pH 5.5): 2282.9; (7)ACD/KOC (pH 7.4): 2282.9; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.604; (11)Molar Refractivity: 60.64 cm3; (12)Molar Volume: 176.2 cm3; (13)Surface Tension: 47.7 dyne/cm; (14)Density: 1.09 g/cm3; (15)Flash Point: 170.4 °C; (16)Enthalpy of Vaporization: 60.21 kJ/mol; (17)Boiling Point: 356.8 °C at 760 mmHg; (18)Vapour Pressure: 2.86E-05 mmHg at 25 °C.
When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. What's more, it is harmful by inhalation, in contact with skin and if swallowed. During using it, wear suitable protective clothing, gloves and eye/face protection. Do not breathe dust. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1. SMILES: N#Cc2ccccc2c1ccc(cc1)C
2. InChI: InChI=1/C14H11N/c1-11-6-8-12(9-7-11)14-5-3-2-4-13(14)10-15/h2-9H,1H3
3. InChIKey: ZGQVZLSNEBEHFN-UHFFFAOYAW
4. Std. InChI: InChI=1S/C14H11N/c1-11-6-8-12(9-7-11)14-5-3-2-4-13(14)10-15/h2-9H,1H3
5. Std. InChIKey: ZGQVZLSNEBEHFN-UHFFFAOYSA-N