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124826 Sigma-Aldrich

4-Cyanobenzoyl chloride

98%

  • CAS Number 6068-72-0

  • Linear Formula NCC6H4COCl

  • Molecular Weight 165.58

  •  Beilstein/REAXYS Number 386729

  •  EC Number 228-005-5

  •  MDL number MFCD00001822

  •  PubChem Substance ID 24847629

  •  NACRES NA.22

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Properties

Related Categories Acid Halides, Building Blocks, Carbonyl Compounds, Chemical Synthesis, Organic Building Blocks More...
Quality Level   100
assay   98%
mp   68-70 °C (lit.)
SMILES string   ClC(=O)c1ccc(cc1)C#N
InChI   1S/C8H4ClNO/c9-8(11)7-3-1-6(5-10)2-4-7/h1-4H
InChI key   USEDMAWWQDFMFY-UHFFFAOYSA-N

Description

General description

4-Cyanobenzoyl chloride participates in the benzylamine acylation of Argopore MB-CHO resin in the presence of pyridine and catalyst. It reacts with 4-hydroxy-2,2,6,6-tetramethyl-1-piperidinoxyl (4-hydroxy-TEMPO) in pyridine under nitrogen atmosphere to form 4-cyanobenzoyl-TEMPO.

Application

4-Cyanobenzoyl chloride has been used in the synthesis of new liquid crystalline heteroaromatic compounds containing the five-membered isoxazole, tetrazole and 1,2,4-oxadiazole rings. It has been used in the synthesis of substituted benzoate esters and to study their excited-state behavior.

Packaging

1, 5, 25 g in glass bottle

Safety & Documentation

Safety Information

Symbol 
GHS05  GHS05
Signal word 
Danger
Hazard statements 
Precautionary statements 
RIDADR 
UN 3261 8 / PGII
WGK Germany 
WGK 3
Flash Point(F) 
Not applicable
Flash Point(C) 
Not applicable

Documents

Certificate of Analysis (COA)

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Certificate of Origin (COO)

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Protocols & Articles
Peer-Reviewed Papers
15

References

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