Cas no 4513-77-3 (2-oxocyclohexane-1-carbonitrile)

2-oxocyclohexane-1-carbonitrile structure
4513-77-3 structure
Product Name:2-oxocyclohexane-1-carbonitrile
CAS No:4513-77-3
MF:C7H9NO
MW:123.152461767197
MDL:MFCD00154839
CID:329902
PubChem ID:220297
Update Time:2025-04-19

2-oxocyclohexane-1-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-Oxocyclohexanecarbonitrile
    • 1,6-NAPHTHYRIDINE-2-CARBOXYLIC ACID
    • 2-oxocyclohexane-1-carbonitrile
    • 2-oxo-Cyclohexanecarbonitrile
    • Cyclohexanecarbonitrile,2-oxo-
    • 1-Cyano-2-oxocyclohexane
    • 2-Cyanocyclohexanone
    • NSC 2841
    • alpha-Cyanocyclohexanone
    • NSC-2841
    • SCHEMBL1623070
    • RWMVCOUKVCLWIC-UHFFFAOYSA-N
    • SY075719
    • NSC2841
    • Cyclohexanecarbonitrile, 2-oxo-
    • W17330
    • DTXSID40277557
    • 4513-77-3
    • AKOS005258248
    • EN300-70694
    • CS-0054141
    • MFCD00154839
    • a-Cyanocyclohexanone
    • FT-0635339
    • 2-oxo-cyclohexane-1-carbonitrile
    • 6F7V86456G
    • PS-5999
    • Z1137167009
    • BBL103177
    • DB-008227
    • STL556987
    • MDL： MFCD00154839
    • Inchi： 1S/C7H9NO/c8-5-6-3-1-2-4-7(6)9/h6H,1-4H2
    • InChI Key： RWMVCOUKVCLWIC-UHFFFAOYSA-N
    • SMILES： O=C1CCCCC1C#N

Computed Properties

  • Exact Mass: 123.06800
  • Monoisotopic Mass: 123.068
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 165
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 40.9A^2
  • XLogP3: 0.9

Experimental Properties

  • Density: 1.05±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: 125-130 oC
  • Boiling Point: 150-160 oC (15 Torr)
  • Flash Point: 117.6±25.4 oC,
  • Refractive Index: 1.4848 (589.3 nm 20 oC)
  • PSA: 40.86000
  • LogP: 1.26928

2-oxocyclohexane-1-carbonitrile Security Information

  • Hazardous Material transportation number：3276
  • Hazard Category Code： 20/21/22-36/37/38
  • Safety Instruction： S26; S36/37/39
  • Hazardous Material Identification： Xi
  • HazardClass：IRRITANT
  • Risk Phrases：R20/21/22

2-oxocyclohexane-1-carbonitrile Customs Data

  • HS CODE：2926909090
  • Customs Data：

    China Customs Code:

    2926909090

    Overview:

    2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

2-oxocyclohexane-1-carbonitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
CHENG DOU FEI BO YI YAO Technology Co., Ltd.
XD02648-50g
2-oxocyclohexane-1-carbonitrile
 4513-77-3 97%
50g
 $800 2023-09-07
TRC
O991068-250mg
2-Oxocyclohexanecarbonitrile
 4513-77-3
250mg
 $ 50.00 2022-06-03
TRC
O991068-500mg
2-Oxocyclohexanecarbonitrile
 4513-77-3
500mg
 $ 65.00 2022-06-03
TRC
O991068-2.5g
2-Oxocyclohexanecarbonitrile
 4513-77-3
2.5g
 $ 210.00 2022-06-03
Fluorochem
023580-250mg
2-Oxocyclohexanecarbonitrile
 4513-77-3 95%+
250mg
 ￡21.00 2022-03-01
Fluorochem
023580-1g
2-Oxocyclohexanecarbonitrile
 4513-77-3 95%+
1g
 ￡42.00 2022-03-01
Fluorochem
023580-5g
2-Oxocyclohexanecarbonitrile
 4513-77-3 95%+
5g
 ￡90.00 2022-03-01
SHANG HAI XIAN DING Biotechnology Co., Ltd.
B-OZ498-200mg
2-oxocyclohexane-1-carbonitrile
 4513-77-3 96%
200mg
 ￥266.0 2022-09-28
SHANG HAI XIAN DING Biotechnology Co., Ltd.
B-OZ498-5g
2-oxocyclohexane-1-carbonitrile
 4513-77-3 96%
5g
 ￥2358.0 2022-09-28
SHANG HAI XIAN DING Biotechnology Co., Ltd.
B-OZ498-1g
2-oxocyclohexane-1-carbonitrile
 4513-77-3 96%
1g
 ￥695.0 2022-09-28

2-oxocyclohexane-1-carbonitrile Related Literature

4513-77-3 (2-oxocyclohexane-1-carbonitrile) Related Products

Recommended suppliers
Yunnanjiuzhen
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Yunnanjiuzhen
Jiangsu Xinsu New Materials Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jiangsu Xinsu New Materials Co., Ltd
上海嶸奧生物技術(shù)有限公司
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
上海嶸奧生物技術(shù)有限公司
ASIACHEM I&E (JIANGSU) CO., LTD
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
ASIACHEM I&E (JIANGSU) CO., LTD
Jiangxi Boyang Pharmaceutical Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jiangxi Boyang Pharmaceutical Chemical Co., Ltd