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CS-W001157 4
Total: USD 88.00

1,3-Dibromopropan-2-one

  • CAS No. 816-39-7

  • Cat. No. CS-W020932
  • Purity≥95%
  • MDL No.MFCD00013540

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

1,3-Dibromopropan-2-one|CS-W020932

Structure of 816-39-7

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General Information

  • CAS No. 816-39-7
  • Cat. No. CS-W020932
  • Purity ≥95%
  • MDL No. MFCD00013540
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₃H₄Br₂O
  • Molecular Weight 215.87
  • Synonym(s) 2-Propanone, 1,3-dibromo-
  • SMILES O=C(CBr)CBr

Synthesis

  • Route1
    • null|null
      67-64-1
    • ~%
    • 1,3-Dibromopropan-2-one|CS-W020932
      816-39-7
    • null|null
      598-31-2

    References

    • WO2005/115954 A2, ; Page/Page column 12-13 ;
  • Route2
    • null|null
      273218-19-2
    • ~98%
    • 1,3-Dibromopropan-2-one|CS-W020932
      816-39-7

    References

    • Edvardsen, Kjetil Roe; Benneche, Tore; Tius, Marcus A. Journal of Organic Chemistry, 2000 , vol. 65, # 10 p. 3085 - 3089
  • Route3
    • null|null
      534-07-6
    • ~83%
    • 1,3-Dibromopropan-2-one|CS-W020932
      816-39-7

    References

    • Menger, F. M.; Persichetti, R. A. Journal of Organic Chemistry, 1987 , vol. 52, # 15 p. 3451 - 3452

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅱ
Hazard Statements : H314-H317-H412
Precautionary Statements : P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P363-P405-P501

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   1.3453
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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