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113402-31-6

Basic Information
CAS No.: 113402-31-6
Name: Benzonitrile,4,4',4''-methylidynetris-
Molecular Structure:
Molecular Structure of 113402-31-6 (Benzonitrile,4,4',4''-methylidynetris-)
Formula: C22H13N3
Molecular Weight: 319.36
Synonyms: 4,4',4''-Methanetriyltribenzonitrile;
EINECS:
Density: 1.24 g/cm3
Melting Point:
Boiling Point: 545.6 °C at 760 mmHg
Flash Point: 262.2 °C
Solubility:
Appearance:
Hazard Symbols:
Risk Codes:
Safety:
Transport Information:
PSA: 71.37000
LogP: 4.48184
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    Chinese name: 4, 4 ', 4 '- methylene three cyanobenzene English name: 4, 4 ', 4 '- Methylidenetrisbenzonitrile CAS no. : 113402-31-6 Molecular formula: C22H13N3 Molecular weight: 319.36 Density: 1.24 g/cm3 Boiling p

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    Letrozole EP Impurity B

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  • 4,4',4''-Methylidenetrisbenzonitrile

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    113402-31-6

    4,4',4''-Methylidenetrisbenzonitrile

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    113402-31-6

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    113402-31-6

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  • 4,4',4''-Methylidenetrisbenzonitrile

  • Casno:

    113402-31-6

    4,4',4''-Methylidenetrisbenzonitrile

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Specification

The Benzonitrile,4,4',4''-methylidynetris- with the CAS number 113402-31-6 is also called 4,4',4''-Methanetriyltribenzonitrile. The systematic name is 4-[bis(4-cyanophenyl)methyl]benzonitrile. Its molecular formula is C22H13N3. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the Benzonitrile,4,4',4''-methylidynetris- are: (1)ACD/LogP: 4.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 71.37 Å2; (9)Index of Refraction: 1.66; (10)Molar Refractivity: 94.48 cm3; (11)Molar Volume: 255.6 cm3; (12)Polarizability: 37.45×10-24cm3; (13)Surface Tension: 67.3 dyne/cm; (14)Enthalpy of Vaporization: 82.45 kJ/mol; (15)Vapour Pressure: 5.84×10-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(ccc1C#N)C(c2ccc(cc2)C#N)c3ccc(cc3)C#N
(2)InChI: InChI=1/C22H13N3/c23-13-16-1-7-19(8-2-16)22(20-9-3-17(14-24)4-10-20)21-11-5-18(15-25)6-12-21/h1-12,22H
(3)InChIKey: NIJQDIWAJCTWAB-UHFFFAOYAL