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CS-W001157 4
Total: USD 88.00

3-Bromo-5-nitrophenol

  • CAS No. 116632-23-6

  • Cat. No. CS-W006488
  • Purity≥96%
  • MDL No.MFCD09965960

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

3-Bromo-5-nitrophenol|CS-W006488

Structure of 116632-23-6

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General Information

  • CAS No. 116632-23-6
  • Cat. No. CS-W006488
  • Purity ≥96%
  • MDL No. MFCD09965960
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₄BrNO₃
  • Molecular Weight 218.00
  • Synonym(s) None
  • SMILES OC1=CC([N+]([O-])=O)=CC(Br)=C1

Description

GABA reuptake inhibitor

Application

3-Bromo-5-nitrophenol serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling regioselective functionalization via palladium-catalyzed cross-coupling reactions. The bromo group facilitates Suzuki, Stille, and Negishi couplings, while the nitro group offers potential for reduction to an amino functionality or participation in electrophilic substitution. Its bench-stable nature and compatibility with diverse reaction conditions make it a practical intermediate for constructing complex aromatic scaffolds.

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07,GHS09
Signal Word : Danger
UN#: 3077
Class : 9
Packing Group : Ⅲ
Hazard Statements : H302-H315-H317-H318-H410
Precautionary Statements : P261-P264-P270-P272-P273-P280-P302+P352-P330-P362+P364-P391-P501

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Computational Chemistry Data

  • TPSA   63.37
  • LogP   2.0629
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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