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Benzeneacetonitrile,4-(phenylmethyl)-

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Name

Benzeneacetonitrile,4-(phenylmethyl)-

EINECS -0
CAS No. 101096-72-4 Density 1.062 g/cm3
PSA 23.79000 LogP 3.34348
Solubility N/A Melting Point 34-36 °C
Formula C15H13N Boiling Point 356.1 °C at 760 mmHg
Molecular Weight 207.275 Flash Point 183.2 °C
Transport Information 3276 Appearance N/A
Safety 36/37 Risk Codes 22
Molecular Structure Molecular Structure of 101096-72-4 (4-BENZYLPHENYLACETONITRILE) Hazard Symbols R22:Harmful if swallowed.;
Synonyms

Acetonitrile,(a-phenyl-p-tolyl)- (6CI);(4-Benzylphenyl)acetonitrile;4-Benzylbenzyl cyanide;

Article Data 3

Benzeneacetonitrile,4-(phenylmethyl)- Specification

The CAS register number of Benzeneacetonitrile,4-(phenylmethyl)- is 101096-72-4. It also can be called as 4-Benzylbenzyl cyanide and the IUPAC name about this chemical is 2-(4-benzylphenyl)acetonitrile. The molecular formula about this chemical is C15H13N and the molecular weight is 207.27.

Physical properties about Benzeneacetonitrile,4-(phenylmethyl)- are: (1)ACD/LogP: 3.44; (2)ACD/LogD (pH 5.5): 3.44; (3)ACD/LogD (pH 7.4): 3.44; (4)ACD/BCF (pH 5.5): 241.37; (5)ACD/BCF (pH 7.4): 241.37; (6)ACD/KOC (pH 5.5): 1766.55; (7)ACD/KOC (pH 7.4): 1766.55; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 23.79 Å2; (11)Index of Refraction: 1.581; (12)Molar Refractivity: 65.02 cm3; (13)Molar Volume: 195 cm3; (14)Polarizability: 25.77x10-24cm3; (15)Surface Tension: 44.3 dyne/cm; (16)Density: 1.062 g/cm3; (17)Flash Point: 183.2 °C; (18)Enthalpy of Vaporization: 60.14 kJ/mol; (19)Boiling Point: 356.1 °C at 760 mmHg; (20)Vapour Pressure: 2.98E-05 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed. If you want to use it, wear suitable protective clothing and gloves. If you want to store it, you should keep the container tightly sealed in dry, cool places and avoid contact with strong oxidizer, strong reducing agent, light, high temperature, spark and so on.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CCc1ccc(cc1)Cc2ccccc2
(2)InChI: InChI=1/C15H13N/c16-11-10-13-6-8-15(9-7-13)12-14-4-2-1-3-5-14/h1-9H,10,12H2
(3)InChIKey: RNZDBGKQDKFAPR-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C15H13N/c16-11-10-13-6-8-15(9-7-13)12-14-4-2-1-3-5-14/h1-9H,10,12H2
(5)Std. InChIKey: RNZDBGKQDKFAPR-UHFFFAOYSA-N

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