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232475 Sigma-Aldrich

3,4-Dichlorophenylacetonitrile

98%

Synonym: 3,4-Dichlorobenzyl cyanide

  • CAS Number 3218-49-3

  • Linear Formula Cl2C6H3CH2CN

  • Molecular Weight 186.04

  •  Beilstein/REAXYS Number 638749

  •  EC Number 221-743-9

  •  MDL number MFCD00001909

  •  PubChem Substance ID 24853903

  •  NACRES NA.22

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Properties

Related Categories Building Blocks, C8 to C9, Chemical Synthesis, Cyanides/Nitriles, Nitrogen Compounds - Organic Building Blocks,
Quality Level   200
assay   98%
bp   170 °C/12 mmHg (lit.)
mp   39-42 °C (lit.)
SMILES string   Clc1ccc(CC#N)cc1Cl
InChI   1S/C8H5Cl2N/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5H,3H2
InChI key   QWZNCAFWRZZJMA-UHFFFAOYSA-N

Description

Application

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

Packaging

25, 100 g in glass bottle

Safety & Documentation

Safety Information

Symbol 
GHS07  GHS07
Signal word 
Warning
Target organs 
Respiratory system
Personal Protective Equipment 
RIDADR 
NONH for all modes of transport
WGK Germany 
WGK 3
Flash Point(F) 
235.4 °F - closed cup
Flash Point(C) 
113 °C - closed cup

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Protocols & Articles
Peer-Reviewed Papers
15

References

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