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CS-W001157 4
Total: USD 88.00

3,4-Dichloro-2-fluoroaniline

  • CAS No. 886762-39-6

  • Cat. No. CS-W006195
  • Molecule weight180.01
  • Purity≥96%
  • MDL No.MFCD04039241

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

3,4-Dichloro-2-fluoroaniline|CS-W006195

Structure of 886762-39-6

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General Information

  • CAS No. 886762-39-6
  • Cat. No. CS-W006195
  • Purity ≥96%
  • MDL No. MFCD04039241
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₄Cl₂FN
  • Molecular Weight 180.01
  • Synonym(s) 2-Fluoro-3,4-Dichloroaniline
  • SMILES NC1=CC=C(Cl)C(Cl)=C1F

Description

3,4-Dichloro-2-fluoroaniline features a fluorine atom at the ortho position relative to the amino group, enhancing electron withdrawal and metabolic stability. The adjacent dichloro substitution provides strong electron-withdrawing character, enabling selective coupling in pharmaceutical intermediates. This aromatic amine integrates readily into complex heterocycles under standard conditions, offering high reactivity with minimal side-product formation.

Application

3,4-Dichloro-2-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, while the fluorine and chlorine substituents provide enhanced metabolic stability and modulated electronic properties. Bench-stable and readily purified by recrystallization, it functions as a versatile scaffold for constructing complex heterocyclic systems and API intermediates.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-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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