CAS No.96184-42-8,TRANS-4-(4-VINYL-CYCLOHEXYL)-BENZONITRILE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	96184-42-8
Name:	TRANS-4-(4-VINYL-CYCLOHEXYL)-BENZONITRILE
Article Data:	4

Formula:	C₁₅H₁₇N
Molecular Weight:	211.307
Synonyms:	Benzonitrile,4-(4-ethenylcyclohexyl)-, trans-;4-(trans-4-Ethenylcyclohexyl)benzonitrile;
Density:	1.011 g/cm³
Melting Point:	57℃
Boiling Point:	333.05 °C at 760 mmHg
Flash Point:	155.908 °C
Risk Codes:	22-36/37/38
Safety:	26-36/37-60
PSA:	23.79000
LogP:	4.01808

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Specification

The trans-4'-(4-Vinylcyclohexyl)benzonitrile, with the CAS registry number 96184-42-8, is also called 4-(trans-4-Ethenylcyclohexyl)benzonitrile. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₅H₁₇N.

The characteristics of trans-4'-(4-Vinylcyclohexyl)benzonitrile are as followings: (1)ACD/LogP: -0.48; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 13.1; (6)ACD/KOC (pH 7.4): 13.1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 46.34 Å²; (11)Index of Refraction: 1.515; (12)Molar Refractivity: 35.22 cm³; (13)Molar Volume: 116.7 cm³; (14)Polarizability: 13.96×10^-24cm³; (15)Surface Tension: 46.7 dyne/cm; (16)Density: 1.2 g/cm³; (17)Flash Point: 102.8 °C; (18)Enthalpy of Vaporization: 48.34 kJ/mol; (19)Boiling Point: 246.3 °C at 760 mmHg; (20)Vapour Pressure: 0.0273 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: C=C[C@H]1CC[C@@H](CC1)c2ccc(cc2)C#N
(2)InChI: InChI=1/C15H17N/c1-2-12-3-7-14(8-4-12)15-9-5-13(11-16)6-10-15/h2,5-6,9-10,12,14H,1,3-4,7-8H2/t12-,14-
(3)InChIKey: JHXJAWXZLWDDED-MQMHXKEQBO