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CS-W001157 4
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3,4-Dichloro-5-fluoroaniline

  • CAS No. 35754-38-2

  • Cat. No. CS-0061686
  • Molecule weight180.01
  • Purity≥97%
  • MDL No.None

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

3,4-Dichloro-5-fluoroaniline|CS-0061686

Structure of 35754-38-2

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General Information

  • CAS No. 35754-38-2
  • Cat. No. CS-0061686
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₄Cl₂FN
  • Molecular Weight 180.01
  • Synonym(s) 3,4-Dichloro-5-fluoro-phenylamine
  • SMILES ClC1=C(C=C(C=C1F)N)Cl

Description

3,4-Dichloro-5-fluoroaniline features a fluorinated aromatic ring bearing two chlorine substituents and a primary amine group, enabling direct incorporation into pharmaceutical intermediates. The electron-deficient aryl framework enhances reactivity in coupling processes, while the amine serves as a pivotal handle for derivatization. This compound exhibits robust stability under standard bench conditions and facilitates efficient access to bioactive heterocycles.

Application

3,4-Dichloro-5-fluoroaniline serves as a valuable building block in medicinal chemistry and agrochemical synthesis, offering orthogonal reactivity through its complementary halogenation pattern. The molecule enables direct coupling reactions via palladium-catalyzed cross-coupling protocols, with the fluorine atom providing metabolic stability and enhanced membrane permeability. Bench-stable and readily purified by recrystallization, it functions effectively in amide formation, Suzuki-Miyaura coupling, and heterocycle construction under standard conditions.

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H302-H311-H315-H319-H331-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   26.02
  • LogP   2.7147
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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