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CS-W001157 4
Total: USD 88.00

3-Bromo-5-(trifluoromethoxy)benzoic acid

  • CAS No. 453565-90-7

  • Cat. No. CS-W021863
  • Purity≥97%
  • MDL No.MFCD04116041
  • HazMat Fee +

    HazMat Fee

    An item is classified as a dangerous good if our website displays Hazardous Material (HazMat) information for it. There is a HazMat shipping fee for each item that qualifies as a dangerous good, except in the following scenarios:

    The shipment is processed through FedEx Ground under the Limited Quantity option.

    Each bottle is packed as an Excepted Quantity, with a maximum of 1g for items in class 6.1 packing group I or II, and up to 25g for all other hazardous materials.

    If shipping is charged to your FedEx account, the HazMat fee will be billed directly by the courier. Otherwise, the fee will be included on your invoice. To help you avoid the HazMat fee, we can package a 5g order of a class 6.1 packing group I or II material as five separate 1g units, and a 100g order of any other dangerous good as four 25g units. This packaging adjustment will be made unless you instruct otherwise on your purchase order. Below, you will find the fee schedule from FedEx for handling hazardous materials.

    Type
    HazMat Fee
    Excepted Quantity $0.00
    FedEx Limited Quantities Ground $0.00
    Hazmat Ground shipping $50.00+
    Inaccessible (Haz class 6.1 or 9), Domestic $68.00+
    Accessible (Haz class 3, 4, 5 or 8), Domestic $158.00+
    Inaccessible (Haz class 6.1 or 9), International $108.00+
    Accessible (Haz class 3, 4, 5 or 8), International $238.00+

    An item is classified as a dangerous good if our website displays Hazardous Material (HazMat) information for it.

    There is a HazMat shipping fee for each item that qualifies as a dangerous good. Please contact our quotation team via email to confirm the details.

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

3-Bromo-5-(trifluoromethoxy)benzoic acid|CS-W021863

Structure of 453565-90-7

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Description

3-Bromo-5-(trifluoromethoxy)benzoic acid features a trifluoromethoxy group enhancing electron-withdrawal and lipophilicity, while the bromine substituent enables subsequent cross-coupling reactions. This combination delivers a robust platform for medicinal chemistry and materials synthesis under standard conditions.

Application

3-Bromo-5-(trifluoromethoxy)benzoic acid serves as a versatile building block for the synthesis of bioactive heterocycles and pharmaceutical intermediates. Its orthogonal functional groups—bromide and carboxylic acid—enable diverse cross-coupling reactions and derivatization strategies, including Suzuki, Stille, and amide formation. The trifluoromethoxy group imparts enhanced metabolic stability and lipophilicity, making it valuable in medicinal chemistry campaigns targeting CNS and oncology therapeutics. The compound exhibits good bench stability and is readily purified by recrystallization or chromatography.

General Information

  • CAS No. 453565-90-7
  • Cat. No. CS-W021863
  • Purity ≥97%
  • MDL No. MFCD04116041
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₄BrF₃O₃
  • Molecular Weight 285.02
  • Synonym(s) 3-Bromo-5-(trifluoromethoxy)Benzoicacid
  • SMILES O=C(O)C1=CC(OC(F)(F)F)=CC(Br)=C1

Computational Chemistry Data

  • TPSA   46.53
  • LogP   3.0459
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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 : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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