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532177 Sigma-Aldrich

3,4-Dichlorobenzonitrile

97%

  • CAS Number 6574-99-8

  • Linear Formula Cl2C6H3CN

  • Molecular Weight 172.01

  •  Beilstein/REAXYS Number 2326352

  •  EC Number 229-494-8

  •  MDL number MFCD00016379

  •  PubChem Substance ID 24877864

  •  NACRES NA.22

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Properties

Related Categories Building Blocks, C6 to C7, Chemical Synthesis, Cyanides/Nitriles, Nitrogen Compounds - Organic Building Blocks,
assay   97%
mp   74-78 °C (lit.)
SMILES string   Clc1ccc(cc1Cl)C#N
InChI   1S/C7H3Cl2N/c8-6-2-1-5(4-10)3-7(6)9/h1-3H
InChI key   KUWBYWUSERRVQP-UHFFFAOYSA-N

Description

General description

3,4-Dichlorobenzonitrile (3,4-DCBN) is an aromatic nitrile that can be prepared from 3,4-dichlorobenzamide.

Application

3,4-Dichlorobenzonitrilemay be used in the preparation of:
• 3,4-difluorobenzonitrile
• 3-chloro-4-fluorobenzonitrile
• 5-chloromethyl-3-( 3,4-dichlorophenyl)isoxazole
• N-[3-(2-pyridyl)isoquinolin-1-yl]-3,4-dichlorobenzamidine

Packaging

5 g in glass bottle

Safety & Documentation

Safety Information

Symbol 
GHS07  GHS07
Signal word 
Warning
Hazard statements 
Precautionary statements 
Personal Protective Equipment 
RIDADR 
NONH for all modes of transport
WGK Germany 
2

Documents

Certificate of Analysis (COA)

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Certificate of Origin (COO)

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Meet Synthia - Retrosynthesis Sofware
Protocols & Articles
Peer-Reviewed Papers
15

References

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