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CS-W001157 4
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2-Bromo-3-fluoro-6-nitrophenol

  • CAS No. 103979-08-4

  • Cat. No. CS-0041716
  • Purity≥95%
  • MDL No.MFCD18071060

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

2-Bromo-3-fluoro-6-nitrophenol|CS-0041716

Structure of 103979-08-4

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General Information

  • CAS No. 103979-08-4
  • Cat. No. CS-0041716
  • Purity ≥95%
  • MDL No. MFCD18071060
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₃BrFNO₃
  • Molecular Weight 236.00
  • Synonym(s) 3-Bromo-4-fluoro-2-hydroxynitrobenzene, 2-Bromo-1-fluoro-3-hydroxy-4-nitrobenzene
  • SMILES OC1=C([N+]([O-])=O)C=CC(F)=C1Br

Description

2-Bromo-3-fluoro-6-nitrophenol features a trifunctional aromatic core with bromine, fluorine, and nitro groups positioned for orthogonal reactivity. This electron-deficient phenol enables selective coupling in cross-coupling and electrophilic substitution reactions. The molecule exhibits enhanced stability under standard conditions, facilitating handling and integration into complex synthetic sequences.

Application

2-Bromo-3-fluoro-6-nitrophenol serves as a versatile building block for the synthesis of functionalized aromatic scaffolds, enabling direct coupling in Pd-catalyzed cross-coupling reactions. The ortho-bromo and nitro groups provide complementary reactivity for sequential transformations, while the fluorine substituent enhances regioselectivity in electrophilic substitution. Its bench-stable solid form facilitates handling and purification, making it suitable for iterative synthetic sequences in medicinal chemistry and materials development.

Safety Information

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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   2.202
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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