Cyclohexanecarbonitrile, 4-oxo- supplier

Name
Cyclohexanecarbonitrile, 4-oxo-
EINECS
CAS No. 34916-10-4
Article Data12
CAS DataBase
Density 1.05 g/cm³
Solubility
Melting Point
Formula C₇H₉NO
Boiling Point 270.778 °C at 760 mmHg
Molecular Weight 123.155
Flash Point 117.562 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Cyanocyclohexanone;4-Oxocyclohexanecarbonitrile;
PSA 40.86000
LogP 1.26928

Cyclohexanecarbonitrile, 4-oxo- Specification

The Cyclohexanecarbonitrile, 4-oxo-, with the CAS registry number 34916-10-4, is also known as 4-Oxocyclohexanecarbonitrile and 4-Cyanocyclohexanone. This chemical's molecular formula is C₇H₉NO and molecular weight is 123.1525. What's more, its IUPAC name is 4-Oxocyclohexane-1-carbonitrile.

Physical properties about Cyclohexanecarbonitrile, 4-oxo- are: (1) ACD/LogP: -0.30; (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): 14; (6) ACD/KOC (pH 7.4): 14; (7) #H bond acceptors: 2; (8) #H bond donors: 0; (9) #Freely Rotating Bonds: 0; (10) Polar Surface Area: 40.86 Å²; (11) Index of Refraction: 1.465; (12) Molar Refractivity: 32.446 cm³; (13) Molar Volume: 117.258 cm³; (14) Polarizability: 12.862×10^-24 cm³; (15) Surface Tension: 39.126 dyne/cm; (16) Density: 1.05 g/cm³; (17) Flash Point: 117.562 °C; (18) Enthalpy of Vaporization: 50.898 kJ/mol; (19) Boiling Point: 270.778 °C at 760 mmHg; (20) Vapour Pressure: 0.007 mmHg at 25 °C.

Preparation of Cyclohexanecarbonitrile, 4-oxo-: this chemical is prepared by cyclohexanone and hydrocyanic acid; sodium salt. This reaction needs reagents Na₂S₂O₈, NaHSO₄ and solvent H₂O at temperature of 80 °C. The reaction time is 5 hours. The yield is 35 %. And the reaction equation is as followed:

Cyclohexanecarbonitrile, 4-oxo- is prepared by cyclohexanone and hydrocyanic acid; sodium salt

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1CCC(C#N)CC1
(2) InChI: InChI=1/C7H9NO/c8-5-6-1-3-7(9)4-2-6/h6H,1-4H2
(3) InChIKey: QIWQJGMBIABGRX-UHFFFAOYAS

Product Name

Cyclohexanecarbonitrile, 4-oxo-

Cyclohexanecarbonitrile, 4-oxo- Specification

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