3,3-Diphenylpropiononitrile

The IUPAC name of Benzenepropanenitrile, beta-phenyl- is 3,3-Diphenylpropanenitrile. With the CAS registry number 2286-54-6, it is also named as Propionitrile,3,3-diphenyl- (6CI,7CI,8CI). The product's category is Organic Intermediate. In addition, its molecular formula is C₁₅H₁₃N and molecular weight is 207.27.

The other characteristics of this product can be summarized as: (1)EINECS: 218-926-0; (2)ACD/LogP: 3.31; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 3.31; (5)ACD/LogD (pH 7.4): 3.31; (6)ACD/BCF (pH 5.5): 192.03; (7)ACD/BCF (pH 7.4): 192.03; (8)ACD/KOC (pH 5.5): 1499.85; (9)ACD/KOC (pH 7.4): 1499.85; (10)H bond acceptors: 1; (11)H bond donors: 0; (12)Freely Rotating Bonds: 3; (13)Index of Refraction: 1.574; (14)Molar Refractivity: 64.74 cm³; (15)Molar Volume: 195.9 cm³; (16)Surface Tension: 44 dyne/cm; (17)Density: 1.057 g/cm³; (18)Flash Point: 194.4 °C; (19)Melting Point: 86 °C; (20)Enthalpy of Vaporization: 61.67 kJ/mol; (21)Boiling Point: 369.9 °C at 760 mmHg; (22)Vapour Pressure: 1.15E-05 mmHg at 25 °C.

Preparation of Benzenepropanenitrile, beta-phenyl-: this chemical can be prepared by 3,3-Diphenyl-acrylonitrile.



This reaction needs H₂, Ethanol and 5percent Pd-C at ambient temperature. The yield is 89 %.

Uses of Benzenepropanenitrile, beta-phenyl-: it can react with Toluene-4-sulfonic acid ; compound with Ethylenediamine to get 2-(2,2-Diphenyl-ethyl)-4,5-dihydro-1H-imidazole.



This reaction will occur at temperature of 200 °C for 3 hours.

People can use the following data to convert to the molecule structure.
(1)SMILES:N#CCC(c1ccccc1)c2ccccc2
(2)InChI:InChI=1/C15H13N/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11H2
(3)InChIKey:INERKLNEVAZSCI-UHFFFAOYAT
(4)Std. InChI:InChI=1S/C15H13N/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11H2
(5)Std. InChIKey:INERKLNEVAZSCI-UHFFFAOYSA-N