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CS-W001157 4
Total: USD 88.00

2-(Bromomethyl)-4-chloro-1-fluorobenzene

  • CAS No. 71916-91-1

  • Cat. No. CS-W013085
  • Purity≥97%
  • MDL No.MFCD01631437

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

2-(Bromomethyl)-4-chloro-1-fluorobenzene|CS-W013085

Structure of 71916-91-1

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General Information

  • CAS No. 71916-91-1
  • Cat. No. CS-W013085
  • Purity ≥97%
  • MDL No. MFCD01631437
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅BrClF
  • Molecular Weight None
  • Synonym(s) alpha-Bromo-3-chloro-6-fluorotoluene
  • SMILES FC1=C(CBr)C=C(Cl)C=C1

Description

2-(Bromomethyl)-4-chloro-1-fluorobenzene features a strategically positioned bromomethyl group flanked by chlorine and fluorine substituents, enabling selective functionalization in late-stage diversification. This electron-deficient aryl halide integrates readily into cross-coupling protocols, offering high reactivity under mild conditions with minimal side reactions.

Application

2-(Bromomethyl)-4-chloro-1-fluorobenzene serves as a versatile aryl building block for transition-metal-catalyzed couplings, enabling efficient construction of biaryl and heterocyclic scaffolds. The bromomethyl group facilitates nucleophilic substitution and cross-coupling reactions, while the ortho-fluoro and para-chloro substituents provide orthogonal reactivity and enhanced stability under standard synthetic conditions. Its bench-stable nature and compatibility with palladium-catalyzed transformations make it well-suited for medicinal chemistry and process development workflows.

Safety Information

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GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅱ
Hazard Statements : H314-H318
Precautionary Statements : P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P363-P405-P501

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Computational Chemistry Data

  • TPSA   0
  • LogP   3.374
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   1

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