Tel:

Email:

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

2-Nitro-4-(trifluoromethyl)phenol

  • CAS No. 400-99-7

  • Cat. No. CS-W015280
  • Purity≥97%
  • MDL No.MFCD00009791

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

2-Nitro-4-(trifluoromethyl)phenol|CS-W015280

Structure of 400-99-7

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

* Please select Quantity before adding items.

General Information

  • CAS No. 400-99-7
  • Cat. No. CS-W015280
  • Purity ≥97%
  • MDL No. MFCD00009791
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄F₃NO₃
  • Molecular Weight None
  • Synonym(s) alpha,alpha,alpha-trifluoro-2-nitro-p-cresol
  • SMILES OC1=CC=C(C(F)(F)F)C=C1[N+]([O-])=O

Description

2-Nitro-4-(trifluoromethyl)phenol features a para-nitro group flanked by a trifluoromethyl substituent on the aromatic ring, delivering high electron deficiency and enhanced stability. This configuration enables efficient coupling in cross-coupling reactions and facilitates direct functionalization in synthetic sequences. The molecule exhibits robust performance under standard bench conditions and serves as a key intermediate in pharmaceutical and agrochemical synthesis.

Application

2-Nitro-4-(trifluoromethyl)phenol serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient construction of functionalized heterocycles. Its electron-deficient aromatic core facilitates nucleophilic substitution and palladium-catalyzed coupling reactions. The molecule exhibits good bench stability and can be readily purified via recrystallization, making it well-suited for scalable synthetic workflows requiring high functional group tolerance.

Synthesis

  • Route1
    • null|null
      121-17-5
    • ~90%
    • In-stock
      2-Nitro-4-(trifluoromethyl)phenol|CS-W015280
      400-99-7

    References

    • Di, Chong-An; Li, Jing; Yu, Gui; Xiao, Yi; Guo, Yunlong; Liu, Yunqi; Qian, Xuhong; Zhu, Daoben Organic Letters, 2008 , vol. 10, # 14 p. 3025 - 3028
  • Route2
    • In-stock
      Lauryl benzalkonium chloride|CS-0013412
      139-07-1
    • null|null
      121-17-5
    • ~92%
    • In-stock
      2-Nitro-4-(trifluoromethyl)phenol|CS-W015280
      400-99-7

    References

    • Bayer Aktiengesellschaft Patent: US4225731 A1, 1980 ;
  • Route3
    • 4-(Trifluoromethyl)phenol Fluoxetine  Impurity|CS-0229006
      402-45-9
    • ~%
    • In-stock
      2-Nitro-4-(trifluoromethyl)phenol|CS-W015280
      400-99-7

    References

    • Kozic, Jan; Novotna, Eva; Volkova, Marie; Stolarikova, Jirina; Trejtnar, Frantisek; Wsol, Vladimir; Vinsova, Jarmila European Journal of Medicinal Chemistry, 2012 , vol. 56, p. 108 - 119

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07,GHS09
Signal Word : Danger
UN#: 3082
Class : 9
Packing Group : Ⅲ
Hazard Statements : H302-H315-H317-H318-H410
Precautionary Statements : P261-P264-P270-P272-P273-P280-P302+P352-P330-P362+P364-P391-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   63.37
  • LogP   2.3192
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

Other Classifications

Recently Viewed Products

Leave US a Message
Upload Pictures

Key Words

  • 2-Nitro-4-(trifluoromethyl)phenol sigma2-Nitro-4-(trifluoromethyl)phenol manufacturer2-Nitro-4-(trifluoromethyl)phenol price2-Nitro-4-(trifluoromethyl)phenol structure2-Nitro-4-(trifluoromethyl)phenol SDSbuy 2-Nitro-4-(trifluoromethyl)phenol2-Nitro-4-(trifluoromethyl)phenol supplier2-Nitro-4-(trifluoromethyl)phenol uses2-Nitro-4-(trifluoromethyl)phenol molecular weightprice of 2-Nitro-4-(trifluoromethyl)phenol2-Nitro-4-(trifluoromethyl)phenol chemical name formula of 2-Nitro-4-(trifluoromethyl)phenol
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