Cas no 3776-30-5 (2,2,6,6-tetrachlorocyclohexan-1-one)

2,2,6,6-tetrachlorocyclohexan-1-one structure
3776-30-5 structure
Product Name:2,2,6,6-tetrachlorocyclohexan-1-one
CAS No:3776-30-5
MF:C6H6Cl4O
MW:235.923238277435
CID:314587
PubChem ID:77407
Update Time:2025-04-19

2,2,6,6-tetrachlorocyclohexan-1-one Chemical and Physical Properties

Names and Identifiers

    • 2,2,6,6-Tetrachlorocyclohexanone
    • 2,2,6,6-tetrachlorocyclohexan-1-one
    • 2,2,6,6-Tetrachloro-cyclohexanone
    • Cyclohexanone,2,2,6,6-tetrachloro-
    • 2,2,6,6-Tetrachlorcyclohexanon
    • 2,2,6,6-Tetrachlorocyclohexanon
    • NSC 238934
    • 2,2,6,6,-Tetrachlorocyclohexanone
    • SCHEMBL186373
    • QCAHVKJGHYVLIS-UHFFFAOYSA-N
    • InChI=1/C6H6Cl4O/c7-5(8)2-1-3-6(9,10)4(5)11/h1-3H
    • MFCD00019451
    • NSC238934
    • EINECS 223-231-0
    • s11298
    • AS-19404
    • DTXSID20191207
    • AKOS005259264
    • NS00030291
    • cyclohexanone, 2,2,6,6-tetrachloro-
    • NSC-238934
    • 3776-30-5
    • DB-355025
    • BBL101453
    • STL555249
    • MDL: MFCD00019451
    • Inchi: 1S/C6H6Cl4O/c7-5(8)2-1-3-6(9,10)4(5)11/h1-3H2
    • InChI Key: QCAHVKJGHYVLIS-UHFFFAOYSA-N
    • SMILES: ClC1(C(C(CCC1)(Cl)Cl)=O)Cl

Computed Properties

  • Exact Mass: 233.91700
  • Monoisotopic Mass: 233.917
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 169
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 17.1A^2
  • XLogP3: 3.2

Experimental Properties

  • Density: 1.53
  • Melting Point: 83-84 oC
  • Boiling Point: 329.4°Cat760mmHg
  • Flash Point: 138.8°C
  • Refractive Index: 1.527
  • PSA: 17.07000
  • LogP: 3.08720

2,2,6,6-tetrachlorocyclohexan-1-one Customs Data

  • HS CODE:2914700090
  • Customs Data:

    China Customs Code:

    2914700090

    Overview:

    2914700090 Halogenation of other ketones and quinones\Sulfonated derivative(Including nitrated and nitrosative derivatives). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acetone declared packaging

    Summary:

    HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%

2,2,6,6-tetrachlorocyclohexan-1-one Pricemore >>

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2,2,6,6-tetrachlorocyclohexan-1-one Related Literature

  • 1. Highly selective ring-opening of 1,3,3-trihalogenoepoxycyclohexanes by boron trihalides; methodology for the determination of the regioselectivity in the cyclisation of 2,2,6,6-tetrahalogenocyclohexanols
    Pierre Duhamel,Bertrand Leblond,Laure Bidois-Séry,Jean-Marie Poirier J. Chem. Soc. Perkin Trans. 1 1994 2265
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