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CS-W001157 4
Total: USD 88.00

Methyl 4-nitro-2-(trifluoromethyl)benzoate

  • CAS No. 900254-47-9

  • Cat. No. CS-0041455
  • Purity≥98%
  • MDL No.MFCD14698082
  • HazMat Fee +

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    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.

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

Methyl 4-nitro-2-(trifluoromethyl)benzoate|CS-0041455

Structure of 900254-47-9

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Description

Methyl 4-nitro-2-(trifluoromethyl)benzoate features a strongly electron-deficient aromatic core flanked by a nitro group and a trifluoromethyl substituent, enabling robust participation in cross-coupling reactions. The ester functionality provides a handle for downstream derivatization, while the molecule exhibits excellent bench stability and solubility in common organic solvents.

Application

Methyl 4-nitro-2-(trifluoromethyl)benzoate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to functionalized aromatic scaffolds. Its orthogonal reactivity—combining a nitro group for reduction and a trifluoromethyl moiety for further functionalization—facilitates downstream transformations in medicinal chemistry and agrochemical synthesis. The ester functionality supports broad compatibility with coupling reactions, while the molecule exhibits excellent bench stability and ease of purification.

General Information

  • CAS No. 900254-47-9
  • Cat. No. CS-0041455
  • Purity ≥98%
  • MDL No. MFCD14698082
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆F₃NO₄
  • Molecular Weight 249.14
  • Synonym(s) Methyl 4-nitro-2-trifluoroMethylbenzoate
  • SMILES O=C(OC)C1=CC=C([N+]([O-])=O)C=C1C(F)(F)F

Computational Chemistry Data

  • TPSA   69.44
  • LogP   2.4002
  • H_Acceptors   4
  • H_Donors   0
  • 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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