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137040-93-8

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Basic Information
CAS No.: 137040-93-8
Name: 4-BROMO-2-PHENYL-PENT-4-ENENITRILE
Article Data: 2
Molecular Structure:
Molecular Structure of 137040-93-8 (4-BROMO-2-PHENYL-PENT-4-ENENITRILE)
Formula: C11H10BrN
Molecular Weight: 236.1078
Synonyms: Benzeneacetonitrile,a-(2-bromo-2-propenyl)- (9CI);4-bromo-2-phenylpent-4-enenitrile;4-Bromo-2-phenyl-pent-4-enenitrile;
Density: 1.357 g/cm3
Boiling Point: 304.8 °C at 760 mmHg
Flash Point: 138.2 °C
PSA: 23.79000
LogP: 3.59248
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    4-BROMO-2-PHENYL-PENT-4-ENENITRILECASAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Specification

The Benzeneacetonitrile, a-(2-bromo-2-propen-1-yl)-, with the CAS registry number 137040-93-8, has the systematic name of 4-bromo-2-phenylpent-4-enenitrile. And the molecular formula of this chemical is C11H10BrN. In addition, it should be stored in the dry and cool environment.

The physical properties of Benzeneacetonitrile, a-(2-bromo-2-propen-1-yl)- are as following: (1)ACD/LogP: 3.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.62; (4)ACD/LogD (pH 7.4): 3.62; (5)ACD/BCF (pH 5.5): 333.79; (6)ACD/BCF (pH 7.4): 333.79; (7)ACD/KOC (pH 5.5): 2227.94; (8)ACD/KOC (pH 7.4): 2227.94; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 23.79 Å2; (13)Index of Refraction: 1.568; (14)Molar Refractivity: 56.91 cm3; (15)Molar Volume: 173.9 cm3; (16)Polarizability: 22.56×10-24cm3; (17)Surface Tension: 43.7 dyne/cm; (18)Density: 1.357 g/cm3; (19)Flash Point: 138.2 °C; (20)Enthalpy of Vaporization: 54.52 kJ/mol; (21)Boiling Point: 304.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000853 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: BrC(=C)CC(C#N)c1ccccc1
(2)InChI: InChI=1/C11H10BrN/c1-9(12)7-11(8-13)10-5-3-2-4-6-10/h2-6,11H,1,7H2
(3)InChIKey: PCUOXYSNHJPTSS-UHFFFAOYAS