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CS-W001157 4
Total: USD 88.00

2-Chloro-6-fluorophenylacetonitrile

  • CAS No. 75279-55-9

  • Cat. No. CS-W017714
  • Purity≥98%
  • MDL No.MFCD00001900

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

2-Chloro-6-fluorophenylacetonitrile|CS-W017714

Structure of 75279-55-9

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General Information

  • CAS No. 75279-55-9
  • Cat. No. CS-W017714
  • Purity ≥98%
  • MDL No. MFCD00001900
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅ClFN
  • Molecular Weight 169.58
  • Synonym(s) 2-(2-chloro-6-fluorophenyl)acetonitrile; 2-Chloro-6-fluorophenylacetonitrile
  • SMILES C1=C(C(=C(C=C1)Cl)CC#N)F

Description

2-Chloro-6-fluorophenylacetonitrile features a strategically positioned nitrile group flanked by chlorine and fluorine substituents, enabling direct integration into heterocyclic scaffolds. This electron-deficient aryl acetonitrile offers enhanced reactivity in cross-coupling processes and serves as a key building block for bioactive molecules in medicinal chemistry.

Application

2-Chloro-6-fluorophenylacetonitrile serves as a versatile building block in medicinal chemistry, enabling efficient access to fluorinated aromatic scaffolds via standard coupling reactions. Its nitrile group facilitates nucleophilic addition and subsequent transformations, while the ortho-chloro and para-fluoro substituents provide orthogonal reactivity for late-stage functionalization. The compound exhibits excellent bench stability and compatibility with common reaction conditions, simplifying purification and integration into multi-step syntheses.

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+H312+H332-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   2.54518
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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