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14368-40-2

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Basic Information
CAS No.: 14368-40-2
Name: (2E)-3-phenylbut-2-enenitrile
Article Data: 47
Molecular Structure:
Molecular Structure of 14368-40-2 ((2E)-3-phenylbut-2-enenitrile)
Formula: C10H9N
Molecular Weight: 143.188
Synonyms: Cinnamonitrile, b-methyl- (7CI,8CI);3-Phenyl-2-butenenitrile;NSC 143537;
Density: 0.996 g/cm3
Boiling Point: 251.5 °C at 760 mmHg
Flash Point: 105.9 °C
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Specification

The 2-Butenenitrile,3-phenyl-, with the CAS registry number 14368-40-2, is also known as (2E)-3-phenyl-2-butenenitrile. This chemical's molecular formula is C10H9N and molecular weight is 143.18516. Its IUPAC name is called (E)-3-phenylbut-2-enenitrile.

Physical properties of 2-Butenenitrile,3-phenyl-: (1)ACD/LogP: 2.87; (2)#H bond acceptors: 1; (3)#Freely Rotating Bonds: 1; (4)Index of Refraction: 1.543; (5)Molar Refractivity: 45.33 cm3; (6)Molar Volume: 143.6 cm3; (7)Surface Tension: 38.8 dyne/cm; (8)Density: 0.996 g/cm3; (9)Flash Point: 105.9 °C; (10)Enthalpy of Vaporization: 48.88 kJ/mol; (11)Boiling Point: 251.5 °C at 760 mmHg; (12)Vapour Pressure: 0.0204 mmHg at 25°C.

Preparation: this chemical can be prepared by trimethyl-(2-phenyl-allyl)-ammonium; iodide and hydrocyanic acid; sodium salt. This reaction will need reagent acetonitrile. The reaction time is 24 hours. The yield is about 84%.

Uses of 2-Butenenitrile,3-phenyl-: it can be used to produce 3-phenyl-butyronitrile by heating. This reaction will need reagent NaTeH, AcOH and solvent ethanol, benzene with reaction time of 24 hours. The yield is about 75%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=CC#N)C1=CC=CC=C1
(2)Isomeric SMILES: C/C(=C\C#N)/C1=CC=CC=C1
(3)InChI: InChI=1S/C10H9N/c1-9(7-8-11)10-5-3-2-4-6-10/h2-7H,1H3/b9-7+
(4)InChIKey: TZRCAFZIOSMMHX-VQHVLOKHSA-N