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6639-43-6

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Basic Information
CAS No.: 6639-43-6
Name: triphenylacetonitrile
Article Data: 22
Molecular Structure:
Molecular Structure of 6639-43-6 (triphenylacetonitrile)
Formula: C20H15N
Molecular Weight: 269.346
Synonyms: Triphenylacetonitrile;
Density: 1.109 g/cm3
Boiling Point: 392.1 °C at 760 mmHg
Flash Point: 197.8 °C
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Specification

The 2, 2, 2-Triphenylacetonitrile, with the CAS registry number of 6639-43-6, is also known as Triphenylacetonitrile. This chemical's molecular formula is C20H15N and molecular weight is 269.345. What's more, its IUPAC name is 2, 2, 2-Triphenylacetonitrile.

Physical properties about 2, 2, 2-Triphenylacetonitrile are: (1)ACD/LogP: 5.29; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.29; (4)ACD/LogD (pH 7.4): 5.29; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 23.79 Å2; (9)Index of Refraction: 1.609; (10)Molar Refractivity: 84.08 cm3; (11)Molar Volume: 242.6 cm3; (12)Surface Tension: 46.1 dyne/cm; (13)Density: 1.109 g/cm3; (14)Flash Point: 197.8 °C; (15)Enthalpy of Vaporization: 64.18 kJ/mol; (16)Boiling Point: 392.1 °C at 760 mmHg; (17)Vapour Pressure: 2.35E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1ccc(cc1)C(C#N)(c2ccccc2)c3ccccc3
(2) InChI: InChI=1/C20H15N/c21-16-20(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H
(3) InChIKey: IFLGNTXHZCYIJD-UHFFFAOYAC