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CS-W001157 4
Total: USD 88.00

3-Bromooxan-4-one

  • CAS No. 98021-79-5

  • Cat. No. CS-0039271
  • Purity≥98%
  • MDL No.MFCD13193743

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

3-Bromooxan-4-one|CS-0039271

Structure of 98021-79-5

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General Information

  • CAS No. 98021-79-5
  • Cat. No. CS-0039271
  • Purity ≥98%
  • MDL No. MFCD13193743
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₇BrO₂
  • Molecular Weight 179.01
  • Synonym(s) 3-Bromodihydro-2H-pyran-4(3H)-one
  • SMILES O=C1C(Br)COCC1

Synthesis

  • Route1

    References

    • Foehlisch, Baldur; Joachimi, Roland; Reiner, Stefan Journal of Chemical Research, Miniprint, 1993 , # 7 p. 1701 - 1730
  • Route2
    • 3,4-Dihydro-2h-pyran-4-one|CS-0256664
      84302-42-1
    • ~%
    • 3-Bromooxan-4-one|CS-0039271
      98021-79-5

    References

    • BRISTOL-MYERS SQUIBB COMPANY; BOY, Kenneth M.; GUERNON, Jason M.; MACOR, John E.; OLSON, Richard E.; SHI, Jianliang; THOMPSON, III, Lorin A.; WU, Yong-Jin; XU, Li; ZHANG, Yunhui; ZUEV, Dmitry S. Patent: WO2011/14535 A1, 2011 ; Location in patent: Page/Page column 89-90 ; WO 2011/014535 A1
  • Route3

    References

    • Abbott Laboratories Patent: US6472416 B1, 2002 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H314
Precautionary Statements : P260-P264-P270-P280-P301+P330+P331-P304+P340-P330-P363-P405-P501

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   0.7393
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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