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Methyl 2-(bromomethyl)-3-(trifluoromethyl)benzoate

  • CAS No. 346603-68-7

  • Cat. No. CS-0451419
  • Molecule weight297.07
  • Purity≥98%
  • MDL No.MFCD20483807

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

Methyl 2-(bromomethyl)-3-(trifluoromethyl)benzoate|CS-0451419

Structure of 346603-68-7

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General Information

  • CAS No. 346603-68-7
  • Cat. No. CS-0451419
  • Purity ≥98%
  • MDL No. MFCD20483807
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈BrF₃O₂
  • Molecular Weight 297.07
  • Synonym(s) Methyl 2-bromomethyl-3-trifluoromethyl benzoate
  • SMILES COC(=O)C1=C(CBr)C(=CC=C1)C(F)(F)F

Synthesis

  • Route1

    References

    • Berthel, Steven Joseph; Kester, Robert Francis; Orzechowski, Lucja Patent: US2012/283271 A1, 2012 ; Location in patent: Page/Page column 10 ; US 20120283271 A1
  • Route2

    References

    • Ruchelman, Alexander L.; Man, Hon-Wah; Zhang, Weihong; Chen, Roger; Capone, Lori; Kang, Jian; Parton, Anastasia; Corral, Laura; Schafer, Peter H.; Babusis, Darius; Moghaddam, Mehran F.; Tang, Yang; Shirley, Michael A.; Muller, George W. Bioorganic and Medicinal Chemistry Letters, 2013 , vol. 23, # 1 p. 360 - 365

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

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   3.3869
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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