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Name |
4-Biphenylcarbonitrile |
EINECS | N/A |
CAS No. | 27104-69-4 | Density | 1.11 g/cm3 |
PSA | 23.79000 | LogP | 3.22528 |
Solubility | N/A | Melting Point |
222-223℃ |
Formula | C13H9N | Boiling Point | 332.3 °C at 760 mmHg |
Molecular Weight | 222.29 | Flash Point | 155.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Cyanobiphenyl; |
Article Data | 1 |
The 4-Biphenylcarbonitrile, with the CAS registry number of 27104-69-4, is also known as 4-Cyanobiphenyl. Its molecular formula is C13H9N and molecular weight is 179.2173. What's more, its systematic name is Biphenyl-4-carbonitrile.
Physical properties about the 4-Biphenylcarbonitrile are: (1)ACD/LogP: 3.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.29; (4)ACD/LogD (pH 7.4): 3.29; (5)ACD/BCF (pH 5.5): 187.81; (6)ACD/BCF (pH 7.4): 187.81; (7)ACD/KOC (pH 5.5): 1476.17; (8)ACD/KOC (pH 7.4): 1476.17; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 23.79 Å2; (12)Index of Refraction: 1.616; (13)Molar Refractivity: 56.02 cm3; (14)Molar Volume: 160.3 cm3; (15)Surface Tension: 49.4 dyne/cm; (16)Density: 1.11 g/cm3; (17)Flash Point: 155.5 °C; (18)Enthalpy of Vaporization: 57.51 kJ/mol; (19)Boiling Point: 332.3 °C at 760 mmHg; (20)Vapour Pressure: 0.000147 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc2ccc(c1ccccc1)cc2
(2) InChI: InChI=1/C13H9N/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H
(3) InChIKey: BPMBNLJJRKCCRT-UHFFFAOYAF