Tel:

Email:

EN
Cat. No. Size / Unit Price Qty
CS-W001157 4
Total: USD 88.00

3-Amino-5-nitrobenzotrifluoride

  • CAS No. 401-94-5

  • Cat. No. CS-W002284
  • Purity≥98%
  • MDL No.MFCD00061229

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

3-Amino-5-nitrobenzotrifluoride|CS-W002284

Structure of 401-94-5

Please choose your location and provide accurate information for you
Size Stock
Price Quantity

* Please select Quantity before adding items.

General Information

  • CAS No. 401-94-5
  • Cat. No. CS-W002284
  • Purity ≥98%
  • MDL No. MFCD00061229
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅F₃N₂O₂
  • Molecular Weight 206.12
  • Synonym(s) 3-Nitro-5-(trifluoromethyl)aniline
  • SMILES Nc1cc(cc(c1)C(F)(F)F)[N+](=O)[O-]

Description

3-Amino-5-nitrobenzotrifluoride features a trifluoromethyl group flanked by electron-withdrawing nitro and electron-donating amino functionalities, enabling precise tuning of electronic properties. This ortho-arranged substitution pattern enhances regioselectivity in coupling reactions. The molecule exhibits bench-stable handling characteristics and integrates readily into pharmaceutical intermediates and functional materials.

Application

3-Amino-5-nitrobenzotrifluoride serves as a versatile building block in medicinal chemistry, enabling direct functionalization at the aromatic ring through its complementary amino and nitro groups. The trifluoromethyl group imparts enhanced metabolic stability and modulates electronic properties, while the ortho-amino functionality facilitates coupling reactions and heterocycle formation. Its bench-stable nature and compatibility with standard synthetic protocols make it ideal for constructing complex scaffolds in API development.

Synthesis

  • Route1
    • null|null
      401-99-0
    • ~%
    • In-stock
      3-Amino-5-nitrobenzotrifluoride|CS-W002284
      401-94-5

    References

    • Journal of the American Chemical Society, , vol. 66, p. 1972
  • Route2
    • null|null
      98-46-4
    • ~%
    • In-stock
      3-Amino-5-nitrobenzotrifluoride|CS-W002284
      401-94-5

    References

    • Journal of the American Chemical Society, , vol. 66, p. 1972
  • Route3
    • null|null
      64-17-5
    • null|null
      401-99-0
    • ~%
    • In-stock
      3-Amino-5-nitrobenzotrifluoride|CS-W002284
      401-94-5

    References

    • Journal of the American Chemical Society, , vol. 66, p. 1972

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
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

To search for quality control of cas , please enter both the product number and the lot/batch number.

Computational Chemistry Data

  • TPSA   69.16
  • LogP   2.1958
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

Other Classifications

Recently Viewed Products

Leave US a Message
Upload Pictures

Key Words

  • 3-Amino-5-nitrobenzotrifluoride sigma3-Amino-5-nitrobenzotrifluoride manufacturer3-Amino-5-nitrobenzotrifluoride price3-Amino-5-nitrobenzotrifluoride structure3-Amino-5-nitrobenzotrifluoride SDSbuy 3-Amino-5-nitrobenzotrifluoride3-Amino-5-nitrobenzotrifluoride supplier3-Amino-5-nitrobenzotrifluoride uses3-Amino-5-nitrobenzotrifluoride molecular weightprice of 3-Amino-5-nitrobenzotrifluoride3-Amino-5-nitrobenzotrifluoride chemical name formula of 3-Amino-5-nitrobenzotrifluoride
This product is not sold in the region.
Confirm
How to get a Lot Number

Lot numbers can be found on the outside label of a product:

ChemScene Label