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CS-W001157 4
Total: USD 88.00

1-Chlorobutane-2,3-dione

  • CAS No. 5559-62-6

  • Cat. No. CS-0239555
  • Molecule weight120.53
  • Purity≥98%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

1-Chlorobutane-2,3-dione|CS-0239555

Structure of 5559-62-6

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General Information

  • CAS No. 5559-62-6
  • Cat. No. CS-0239555
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₅ClO₂
  • Molecular Weight 120.53
  • Synonym(s) None
  • SMILES CC(C(CCl)=O)=O

Synthesis

  • Route1
    • null|null
      431-03-8
    • ~60%
    • 1-Chlorobutane-2,3-dione|CS-0239555
      5559-62-6

    References

    • Chu, Xin-Jie; Fotouhi, Nader; Huby, Nicholas J.S.; Kong, Norman; McDermott, Lee Apostle; Moliterni, John; Zhang, Zhuming Patent: US2006/41146 A1, 2006 ; Location in patent: Page/Page column 10 ; US 20060041146 A1
  • Route2
    • 4-Chloro-3-(hydroxyimino)butan-2-one|CS-0242322
      14366-10-0
    • ~%
    • 1-Chlorobutane-2,3-dione|CS-0239555
      5559-62-6

    References

    • Ogloblin,K.A.; Potekhin,A.A. J. Gen. Chem. USSR (Engl. Transl.), 1964 , vol. 34, p. 2688 - 2693,2710 - 2713

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06,GHS08
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331-H341
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   34.14
  • LogP   0.3833
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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