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CS-W001157 4
Total: USD 88.00

1-(3-Bromo-2-methylphenyl)ethanone

  • CAS No. 52779-76-7

  • Cat. No. CS-0153520
  • Purity≥98%
  • MDL No.MFCD22573012

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

1-(3-Bromo-2-methylphenyl)ethanone|CS-0153520

Structure of 52779-76-7

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General Information

  • CAS No. 52779-76-7
  • Cat. No. CS-0153520
  • Purity ≥98%
  • MDL No. MFCD22573012
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉BrO
  • Molecular Weight 213.07
  • Synonym(s) Fluralaner-006
  • SMILES CC1=C(C=CC=C1Br)C(=O)C

Synthesis

  • Route1
    • In-stock
      3-Bromo-2-methylbenzonitrile|CS-W004918
      52780-15-1
    • null|null
      75-16-1
    • ~67%
    • In-stock
      1-(3-Bromo-2-methylphenyl)ethanone|CS-0153520
      52779-76-7

    References

    • BRISTOL-MYERS SQUIBB COMPANY; HU, Carol Hui; QIAO, Jennifer X.; WANG, Tammy C. Patent: WO2013/151923 A1, 2013 ; Location in patent: Paragraph 00193 ;
  • Route2
    • In-stock
      3-Bromo-2-methylbenzonitrile|CS-W004918
      52780-15-1
    • null|null
      74-88-4
    • ~%
    • In-stock
      1-(3-Bromo-2-methylphenyl)ethanone|CS-0153520
      52779-76-7

    References

    • Janssen Pharmaceutica N.V. Patent: US4035376 A1, 1977 ;

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.96012
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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