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CS-W001157 4
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3-(Difluoromethyl)aniline

  • CAS No. 368-99-0

  • Cat. No. CS-0112541
  • Purity≥98%
  • MDL No.MFCD18384830

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

3-(Difluoromethyl)aniline|CS-0112541

Structure of 368-99-0

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General Information

  • CAS No. 368-99-0
  • Cat. No. CS-0112541
  • Purity ≥98%
  • MDL No. MFCD18384830
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇F₂N
  • Molecular Weight 143.13
  • Synonym(s) 11.11-Difluor-3-amino-toluol
  • SMILES NC1=CC=CC(C(F)F)=C1

Description

3-(Difluoromethyl)aniline features a difluoromethyl group ortho to the amino functionality, imparting enhanced electron-withdrawing character and metabolic stability. This substitution pattern improves solubility in polar organic solvents and enables direct incorporation into pharmaceutical intermediates and agrochemical scaffolds under standard conditions.

Application

3-(Difluoromethyl)aniline serves as a valuable building block for medicinal chemistry and agrochemical research, enabling direct incorporation of a difluoromethyl group into aromatic scaffolds. Its stability under standard reaction conditions facilitates straightforward functionalization, while the electron-withdrawing nature of the difluoromethyl moiety modulates electronic properties and metabolic stability in target molecules. The compound functions effectively in coupling reactions and heterocycle synthesis, offering predictable reactivity and ease of purification.

Synthesis

  • Route1

    References

    • Yang, Beom-Seok; Kim, Yong-Zu; Park, Tae-Kyo; Woo, Sung-Ho; Lee, Hyang-Sook; Kim, Sun-Young; Cho, Jong-Un; Lee, Hong-Bum Patent: US2013/72482 A1, 2013 ; Location in patent: Paragraph 0229; 0232; 0233 ;
  • Route2
    • 3-Nitrobenzaldehyde Erlotinib Impurity|CS-0204123
      99-61-6
    • ~%
    • In-stock
      3-(Difluoromethyl)aniline|CS-0112541
      368-99-0

    References

    • NOVIRA THERAPEUTICS, INC.; HARTMAN, George D.; FLORES, Osvaldo A. Patent: WO2013/96744 A1, 2013 ;
  • Route3
    • null|null
      619-28-3
    • ~%
    • In-stock
      3-(Difluoromethyl)aniline|CS-0112541
      368-99-0

    References

    • Kondratenko,N.V. et al. Zhurnal Organicheskoi Khimii, 1970 , vol. 6, # 7 p. 1423 - 1426,1436 - 1439

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2810
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H302+H312-H315-H319-H331-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.02
  • LogP   2.2064
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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