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CS-W001157 4
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Dimethyl 5-bromoisophthalate

  • CAS No. 51760-21-5

  • Cat. No. CS-W008948
  • Purity≥98%
  • MDL No.MFCD00078709
  • HazMat Fee +

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    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+

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

Dimethyl 5-bromoisophthalate|CS-W008948

Structure of 51760-21-5

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Description

Dimethyl 5-bromoisophthalate features a brominated aromatic core flanked by two ester groups, enabling direct functionalization in cross-coupling reactions. This bench-stable, moisture-tolerant reagent integrates seamlessly into synthetic sequences requiring halogen-directed derivatization, offering predictable regiochemistry and high compatibility with palladium-catalyzed transformations.

Application

Dimethyl 5-bromoisophthalate serves as a versatile diester building block for the synthesis of functionalized aromatic scaffolds. Its bromine substituent enables direct palladium-catalyzed cross-coupling reactions, while the ester groups facilitate selective transformations and orthogonal derivatization. The compound exhibits excellent bench stability and clean purification profiles, making it well-suited for iterative synthesis in medicinal chemistry and materials science applications.

General Information

  • CAS No. 51760-21-5
  • Cat. No. CS-W008948
  • Purity ≥98%
  • MDL No. MFCD00078709
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉BrO₄
  • Molecular Weight 273.08
  • Synonym(s) dimethyl 5-bromobenzene-1,3-dicarboxylate
  • SMILES BrC1=CC(C(OC)=O)=CC(C(OC)=O)=C1

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 : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301
Precautionary Statements : P264-P270-P330-P405-P501

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