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CS-W001157 4
Total: USD 88.00

5-Bromo-1H-isochromen-1-one

  • CAS No. 245677-36-5

  • Cat. No. CS-0343164
  • Purity≥97%
  • MDL No.None

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

5-Bromo-1H-isochromen-1-one|CS-0343164

Structure of 245677-36-5

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General Information

  • CAS No. 245677-36-5
  • Cat. No. CS-0343164
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₅BrO₂
  • Molecular Weight 225.04
  • Synonym(s) 5-bromoisocoumarin
  • SMILES O=C1C2=CC=CC(Br)=C2C=CO1

Synthesis

  • Route1
    • 5-Amino-1H-isochromen-1-one|CS-0455095
      70758-25-7
    • ~35%
    • 5-Bromo-1H-isochromen-1-one|CS-0343164
      245677-36-5

    References

    • Parveen, Ifat; Naughton, Declan P.; Whish, William J. D.; Threadgill, Michael D. Bioorganic and Medicinal Chemistry Letters, 1999 , vol. 9, # 14 p. 2031 - 2036
  • Route2
    • 5-Nitro-1H-isochromen-1-one|CS-0102755
      77747-69-4
    • ~%
    • 5-Bromo-1H-isochromen-1-one|CS-0343164
      245677-36-5

    References

    • Parveen, Ifat; Naughton, Declan P.; Whish, William J. D.; Threadgill, Michael D. Bioorganic and Medicinal Chemistry Letters, 1999 , vol. 9, # 14 p. 2031 - 2036

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   30.21
  • LogP   2.5555
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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