CAS No.3893-23-0,CYCLOHEXYLPHENYLACETONITRILE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3893-23-0
Name:	CYCLOHEXYLPHENYLACETONITRILE
Article Data:	31

Formula:	C₁₄H₁₇N
Molecular Weight:	199.296
Synonyms:	Cyclohexaneacetonitrile,a-phenyl- (6CI,7CI,8CI);2-Cyclohexyl-2-phenylacetonitrile;2-Cyclohexylphenylacetonitrile;Cyclohexylphenylacetonitrile;NSC 506;a-Cyclohexylbenzyl cyanide;a-Phenylcyclohexaneacetonitrile;
EINECS:	223-442-8
Density:	1.019g/cm³
Melting Point:	49-55 °C
Boiling Point:	322.5 °C at 760 mmHg
Flash Point:	156.3 °C
Hazard Symbols:	Xn
Risk Codes:	36/37/38-20/21/22
Safety:	36/37/39-26-22
PSA:	23.79000
LogP:	3.87408

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Specification

The Benzeneacetonitrile, α-cyclohexyl-, with CAS registry number 3893-23-0, has the systematic name of cyclohexyl(phenyl)acetonitrile. This chemical is a kind of light yellow chunks. And the chemical formula of this chemical is C₁₄H₁₇N. What's more, its EINECS is 223-442-8.

Physical properties of Benzeneacetonitrile, α-cyclohexyl-: (1)ACD/LogP: 3.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.86; (4)ACD/LogD (pH 7.4): 3.86; (5)ACD/BCF (pH 5.5): 501.8; (6)ACD/BCF (pH 7.4): 501.8; (7)ACD/KOC (pH 5.5): 2982.94; (8)ACD/KOC (pH 7.4): 2982.94; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 23.79 Å²; (13)Index of Refraction: 1.54; (14)Molar Refractivity: 61.38 cm³; (15)Molar Volume: 195.3 cm³; (16)Polarizability: 24.33×10^-24cm³; (17)Surface Tension: 42.2 dyne/cm; (18)Density: 1.019 g/cm³; (19)Flash Point: 156.3 °C; (20)Enthalpy of Vaporization: 56.43 kJ/mol; (21)Boiling Point: 322.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000279 mmHg at 25°C.

Preparation: this chemical can be prepared by bromocyclohexane and phenylacetonitrile. This reaction will need reagent aq. NaOH.

Uses of Benzeneacetonitrile, α-cyclohexyl-: it can be used to produce 2-cyclohexyl-2-phenyl-ethylamine. This reaction will need reagents Raney nickel, methanol.NH₃.

When you are using this chemical, please be cautious about it as the following:
The Benzeneacetonitrile, α-cyclohexyl- irritates to eyes, respiratory system and skin. And this chemical is harmful by inhalation, in contact with skin and if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CC(c1ccccc1)C2CCCCC2
(2)InChI: InChI=1/C14H17N/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1,3-4,7-8,13-14H,2,5-6,9-10H2
(3)InChIKey: IZSWBXTYTALSOZ-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C14H17N/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1,3-4,7-8,13-14H,2,5-6,9-10H2
(5)Std. InChIKey: IZSWBXTYTALSOZ-UHFFFAOYSA-N