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CS-W001157 4
Total: USD 88.00

2-(3,4-Dichlorophenyl)acetonitrile

  • CAS No. 3218-49-3

  • Cat. No. CS-W007701
  • Purity≥98%
  • MDL No.None

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

2-(3,4-Dichlorophenyl)acetonitrile|CS-W007701

Structure of 3218-49-3

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General Information

  • CAS No. 3218-49-3
  • Cat. No. CS-W007701
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅Cl₂N
  • Molecular Weight 186.04
  • Synonym(s) Benzeneacetonitrile, 3,4-dichloro-
  • SMILES C1=C(C=CC(=C1Cl)Cl)CC#N

Description

3,4-Dichlorophenylacetonitrile was used in the synthesis of:SR 48968, a potent, competitive and selective non-peptide antagonist of the neurokinin A (NK2) receptortachykinin NK3 receptor antagonist SR 142801, (R)-N-[ 1-[3-[ 1-benzoyl-3-(3,4-dichlororphenyl)-3-piperidinyl]propyyl]-4-phenyl-4-piperidinyl-N-methyl acetamideMDL 105,212, a non-peptide tachykinin receptor antagonist

Application

2-(3,4-Dichlorophenyl)acetonitrile serves as a versatile building block in medicinal chemistry, enabling efficient access to biologically active scaffolds through standard functional group transformations. Its nitrile group facilitates nucleophilic additions and subsequent derivatization, while the dichlorophenyl moiety provides enhanced metabolic stability and favorable lipophilicity. The compound exhibits excellent bench stability and compatibility with common reaction conditions, simplifying purification and scale-up in synthetic workflows.

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   3.05948
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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