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Dimethyl 2-bromoisophthalate

  • CAS No. 39622-80-5

  • Cat. No. CS-0038045
  • Purity≥97%
  • MDL No.MFCD17169956
  • 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.

    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.

Dimethyl 2-bromoisophthalate|CS-0038045

Structure of 39622-80-5

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Description

Dimethyl 2-bromoisophthalate features a brominated aromatic core flanked by ester groups, enabling direct functionalization in cross-coupling reactions. The para-positioned bromine serves as a reliable coupling handle, while the methyl esters remain stable under standard conditions. This compound integrates readily into synthetic sequences requiring dual activation sites, particularly in the construction of complex heterocycles and functionalized arenes.

Application

Dimethyl 2-bromoisophthalate serves as a versatile diester building block for the synthesis of functionalized aromatic scaffolds. Its bromine substituent enables palladium-catalyzed cross-coupling reactions, facilitating the construction of biaryl and heteroaryl systems. The molecule exhibits excellent bench stability, ease of purification, and compatibility with standard synthetic workflows, making it a reliable reagent for medicinal chemistry and materials science applications.

General Information

  • CAS No. 39622-80-5
  • Cat. No. CS-0038045
  • Purity ≥97%
  • MDL No. MFCD17169956
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉BrO₄
  • Molecular Weight 273.08
  • Synonym(s) 2-Bromoisophthalic acid dimethyl ester
  • SMILES COC(=O)C1=C(C(=CC=C1)C(=O)OC)Br

Computational Chemistry Data

  • TPSA   52.6
  • LogP   2.0223
  • 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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