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34916-10-4

Basic Information
CAS No.: 34916-10-4
Name: Cyclohexanecarbonitrile, 4-oxo-
Article Data: 12
Molecular Structure:
Molecular Structure of 34916-10-4 (Cyclohexanecarbonitrile, 4-oxo-)
Formula: C7H9NO
Molecular Weight: 123.155
Synonyms: 4-Cyanocyclohexanone;4-Oxocyclohexanecarbonitrile;
Density: 1.05 g/cm3
Boiling Point: 270.778 °C at 760 mmHg
Flash Point: 117.562 °C
PSA: 40.86000
LogP: 1.26928
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  • Casno:

    34916-10-4

    4-Oxocyclohexanecarbonitrile

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    COA,H-NMR,HPLC availableWe have offices in Boston,MA,USAWe ship it in real nameMerck and Sigma are our customersPayment:Credit card/Net 30 daysWeb:www.alliconpharma.com Storage:Store in a cool, dry, well-ventilated area away from incompatible substan

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    Address:Changzhou Scientific and Education Park

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  • FT-0763579

  • Casno:

    34916-10-4

    FT-0763579

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    High Quality Best Price Storage:Store in dry, dark and ventilated place Application:Chemical Synthesis Intermediate

    Finetech Industry Limited is a company in England,which specializing in developing, manufacturing and marketing fine organic compounds and intermediates for the fine chemical and p

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  • 4-Oxocyclohexanecarbonitrile

  • Casno:

    34916-10-4

    4-Oxocyclohexanecarbonitrile

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    Comprehensive range product, High quality, Quick shippment, COA with spectras Package:0.25g Application:pharmaceutical industry, food industry, research

    SHANGHAI ZZBIO CO. LTD. is a high-tech enterprise involved in oligosaccharides & polysaccharides, PEG & PEGylation and phytochemicals for customers in pharmaceutical industry, food

  • SHANGHAI ZZBIO CO., LTD.

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  • CYCLOHEXANECARBONITRILE, 4-OXO-

  • Casno:

    34916-10-4

    CYCLOHEXANECARBONITRILE, 4-OXO-

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    With certain technical reserves, high quality, preferential price and excellent service Application:Synthesis of pharmaceutical raw materials and research and development of new drugs

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  • 4-Oxocyclohexanecarbonitrile

  • Casno:

    34916-10-4

    4-Oxocyclohexanecarbonitrile

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    High quality Application:Pharmaceutial

    Chamflyer Chemicals Co.Ltd is a fine organics manufacturing facility which located in Shanghai. We produce a wide range of boronic acids, pyridines, quinolines, indoles, oxazoles,

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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