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CS-W001157 4
Total: USD 88.00

3-(Trifluoromethyl)benzaldehyde

  • CAS No. 454-89-7

  • Cat. No. CS-M1039
  • Molecule weight174.12
  • Purity≥97%
  • MDL No.MFCD00003373

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

3-(Trifluoromethyl)benzaldehyde|CS-M1039

Structure of 454-89-7

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General Information

  • CAS No. 454-89-7
  • Cat. No. CS-M1039
  • Purity ≥97%
  • MDL No. MFCD00003373
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅F₃O
  • Molecular Weight 174.12
  • Synonym(s) None
  • SMILES FC(F)(F)C1=CC(C([H])=O)=CC=C1

Description

3-(Trifluoromethyl)benzaldehyde features a strongly electron-deficient aromatic ring due to the para-trifluoromethyl group, enhancing its reactivity in nucleophilic addition and condensation reactions. This bench-stable aldehyde integrates readily into synthetic routes requiring polarized carbonyl functionality.

Synthesis

  • Route1
    • null|null
      201230-82-2
    • In-stock
      1-Iodo-3-(trifluoromethyl)benzene|CS-W003967
      401-81-0
    • ~86%
    • In-stock
      3-(Trifluoromethyl)benzaldehyde|CS-M1039
      454-89-7

    References

    • Jiang, Jianwen; Wang, Pingping; Cai, Mingzhong Journal of Chemical Research, 2014 , vol. 38, # 4 p. 218 - 222
  • Route2

    References

    • Bayer Chemicals AG Patent: EP1389608 A1, 2004 ; Location in patent: Page/Page column 6 ;
  • Route3

    References

    • Bleloch, Andrew; Johnson, Brian F. G.; Ley, Steven V.; Price, Adam J.; Shephard, Douglas S.; Thomas, Andrew W. Chemical Communications, 1999 , # 18 p. 1907 - 1908

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07,GHS09
Signal Word : Warning
UN#: 3082
Class : 9
Packing Group : Ⅲ
Hazard Statements : H227-H315-H319-H335-H400-H411
Precautionary Statements : P210-P261-P264-P271-P273-P280-P302+P352-P304+P340-P362+P364-P370+P378-P391-P403-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.5179
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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