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Cyclohexanecarbonitrile,1-(4-methoxyphenyl)-

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Name

Cyclohexanecarbonitrile,1-(4-methoxyphenyl)-

EINECS 252-938-7
CAS No. 36263-51-1 Density 1.06 g/cm3
PSA 33.02000 LogP 3.42068
Solubility N/A Melting Point 40-45 °C
Formula C14H17NO Boiling Point 362 °C at 760 mmHg
Molecular Weight 215.295 Flash Point 152.6 °C
Transport Information 3276 Appearance colorless to yellow-brown low melting solid
Safety 24/25 Risk Codes 20/21/22
Molecular Structure Molecular Structure of 36263-51-1 (Cyclohexanecarbonitrile,1-(4-methoxyphenyl)-) Hazard Symbols HarmfulXn
Synonyms

1-(4-Methoxyphenyl)-1-cyclohexanecarbonitrile;1-(4-Methoxyphenyl)cyclohexanecarbonitrile;NSC 155171;

Article Data 9

Cyclohexanecarbonitrile,1-(4-methoxyphenyl)- Specification

The Cyclohexanecarbonitrile,1-(4-methoxyphenyl)-, with the CAS registry number 36263-51-1, is also known as 1-(4-Methoxyphenyl)cyclohexanecarbonitrile and 1-(4-Methoxyphenyl)-1-cyclohexanecarbonitrile. Its EINECS registry number is 252-938-7. This chemical's molecular formula is C14H17NO and molecular weight is 215.2909. What's more, its IUPAC name is 1-(4-Methoxyphenyl)cyclohexane-1-carbonitrile.

Physical properties about Cyclohexanecarbonitrile,1-(4-methoxyphenyl)- are: (1) ACD/LogP: 3.14; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3.14; (4) ACD/LogD (pH 7.4): 3.14; (5) ACD/BCF (pH 5.5): 144.46; (6) ACD/BCF (pH 7.4): 144.46; (7) ACD/KOC (pH 5.5): 1223.34; (8) ACD/KOC (pH 7.4): 1223.34; (9) #H bond acceptors: 2; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 33.02 Å2; (13) Index of Refraction: 1.538; (14) Molar Refractivity: 63.43 cm3; (15) Molar Volume: 202.7 cm3; (16) Polarizability: 25.14×10-24 cm3; (17) Surface Tension: 42.9 dyne/cm; (18) Density: 1.06 g/cm3; (19) Flash Point: 152.6 °C; (20) Enthalpy of Vaporization: 60.79 kJ/mol; (21) Boiling Point: 362 °C at 760 mmHg; (22) Vapour Pressure: 2E-05 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is harmful by inhalation, in contact with skin and if swallowed. Therefore, you should avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1) SMILES: N#CC2(c1ccc(OC)cc1)CCCCC2
(2) InChI: InChI=1/C14H17NO/c1-16-13-7-5-12(6-8-13)14(11-15)9-3-2-4-10-14/h5-8H,2-4,9-10H2,1H3
(3) InChIKey: YQXUSXSQFVWPRQ-UHFFFAOYAZ

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