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CS-W001157 4
Total: USD 88.00

1-(Difluoromethyl)-4-nitrobenzene

  • CAS No. 29848-57-5

  • Cat. No. CS-0068782
  • Purity≥96%
  • MDL No.MFCD16659620

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

1-(Difluoromethyl)-4-nitrobenzene|CS-0068782

Structure of 29848-57-5

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General Information

  • CAS No. 29848-57-5
  • Cat. No. CS-0068782
  • Purity ≥96%
  • MDL No. MFCD16659620
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅F₂NO₂
  • Molecular Weight None
  • Synonym(s) 1-Difluoromethyl-4-nitro-benzene
  • SMILES O=[N+](C1=CC=C(C(F)F)C=C1)[O-]

Description

1-(Difluoromethyl)-4-nitrobenzene features a para-nitro group and a difluoromethyl substituent on a benzene ring, delivering strong electron-withdrawing character. This combination enhances reactivity in nucleophilic aromatic substitution processes and provides stability under standard bench conditions. The molecule integrates readily into synthetic routes requiring fluorinated aryl building blocks.

Application

1-(Difluoromethyl)-4-nitrobenzene serves as a versatile building block in medicinal chemistry, enabling direct incorporation of the difluoromethyl group—a bioisostere of hydroxyl and trifluoromethyl functionalities—into aromatic scaffolds. The molecule exhibits excellent bench stability, tolerates diverse reaction conditions, and facilitates subsequent transformations such as nucleophilic substitution and catalytic cross-coupling, making it ideal for rapid exploration of fluorinated compound libraries.

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 : P260-P264-P270-P271-P280-P301+P310-P302+P352-P304+P340-P305+P351+P338-P312-P330-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   43.14
  • LogP   2.5324
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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