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CS-W001157 4
Total: USD 88.00

Methyl 4-bromo-2-(bromomethyl)benzoate

  • CAS No. 78471-43-9

  • Cat. No. CS-D0141
  • Purity≥98%
  • MDL No.MFCD04114319

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

Methyl 4-bromo-2-(bromomethyl)benzoate|CS-D0141

Structure of 78471-43-9

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General Information

  • CAS No. 78471-43-9
  • Cat. No. CS-D0141
  • Purity ≥98%
  • MDL No. MFCD04114319
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈Br₂O₂
  • Molecular Weight 307.97
  • Synonym(s) 4-Bromo-2-(bromomethyl)benzoic Acid Methyl Ester
  • SMILES O=C(OC)C(C(CBr)=C1)=CC=C1Br

Description

Methyl 4-bromo-2-(bromomethyl)benzoate features a dual bromine functionality: a para-bromo substituent and a benzylic bromomethyl group. This combination enables efficient cross-coupling and functionalization in synthetic sequences. The molecule exhibits high reactivity at the bromomethyl site, facilitating nucleophilic substitution under mild conditions. Its bench-stable nature supports reliable handling in process development workflows.

Application

Methyl 4-bromo-2-(bromomethyl)benzoate serves as a versatile di-functional building block for diversification in synthetic organic chemistry. The bromomethyl group enables efficient functionalization via nucleophilic substitution, while the pendant bromide supports cross-coupling reactions. Its bench-stable nature and compatibility with standard reaction conditions facilitate straightforward incorporation into complex molecular architectures, including heterocyclic scaffolds and pharmaceutical intermediates.

Safety Information

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GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅲ
Hazard Statements : H290-H314
Precautionary Statements : P234-P260-P264-P280-P301+P330+P331-P304+P340-P363-P390-P405-P406-P501

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   3.1306
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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