1-(4-Methylphenyl)-1-cyclohexanecarbonitrile supplier

Name
1-(4-Methylphenyl)-1-cyclohexanecarbonitrile
EINECS 214-888-4
CAS No. 1206-13-9
Article Data6
CAS DataBase
Density 1.01 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₇N
Boiling Point 342.6 °C at 760 mmHg
Molecular Weight 199.296
Flash Point 128.1 °C
Transport Information
Appearance clear colourless to yellowish liquid
Safety 36/37/39-26
Risk Codes 20/21/22-36/37/38
Molecular Structure
Hazard Symbols Xn
Synonyms Cyclohexanecarbonitrile,1-p-tolyl- (7CI,8CI);1-(4-Methylphenyl)cyclohexanecarbonitrile;NSC 155170;1-(4-methylphenyl)cyclohexanecarbonitrile;cyclohexanecarbonitrile, 1-(4-methylphenyl)-;1-(4-Methylphenyl)-1-cyclohexanecarbonitrile;
PSA 23.79000
LogP 3.72048

1-(4-Methylphenyl)-1-cyclohexanecarbonitrile Specification

The 1-(4-Methylphenyl)-1-cyclohexanecarbonitrile, with the CAS registry number 1206-13-9 and EINECS registry number 214-888-4, has the systematic name of 1-(4-methylphenyl)cyclohexanecarbonitrile. It is a kind of clear colourless to yellowish liquid, and the molecular formula of the chemical is C₁₄H₁₇N.

The characteristics of 1-(4-Methylphenyl)-1-cyclohexanecarbonitrile are as followings: (1)ACD/LogP: 3.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.69; (4)ACD/LogD (pH 7.4): 3.69; (5)ACD/BCF (pH 5.5): 374.73; (6)ACD/BCF (pH 7.4): 374.73; (7)ACD/KOC (pH 5.5): 2420.29; (8)ACD/KOC (pH 7.4): 2420.29; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 23.79 Å²; (13)Index of Refraction: 1.54; (14)Molar Refractivity: 61.69 cm³; (15)Molar Volume: 196.4 cm³; (16)Polarizability: 24.45×10^-24cm³; (17)Surface Tension: 41.4 dyne/cm; (18)Density: 1.01 g/cm³; (19)Flash Point: 128.1 °C; (20)Enthalpy of Vaporization: 58.64 kJ/mol; (21)Boiling Point: 342.6 °C at 760 mmHg; (22)Vapour Pressure: 7.43E-05 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and it is also harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: N#CC2(c1ccc(cc1)C)CCCCC2
(2)InChI: InChI=1/C14H17N/c1-12-5-7-13(8-6-12)14(11-15)9-3-2-4-10-14/h5-8H,2-4,9-10H2,1H3
(3)InChIKey: JFUXEEYLCATFIB-UHFFFAOYAE

Product Name

1-(4-Methylphenyl)-1-cyclohexanecarbonitrile

1-(4-Methylphenyl)-1-cyclohexanecarbonitrile Specification

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