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443042 Sigma-Aldrich

2-Benzothiazoleacetonitrile

98%

  • CAS Number 56278-50-3

  • Empirical Formula (Hill Notation) C9H6N2S

  • Molecular Weight 174.22

  •  MDL number MFCD00051633

  •  PubChem Substance ID 24868043

  •  NACRES NA.22

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Properties

Related Categories Building Blocks, C8 to C9, Chemical Synthesis, Heterocyclic Building Blocks, Thiazoles More...
assay   98%
mp   98-101 °C (lit.)
SMILES string   N#CCc1nc2ccccc2s1
InChI   1S/C9H6N2S/c10-6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5H2
InChI key   ZMZSYUSDGRJZNT-UHFFFAOYSA-N

Description

Application

2-Benzothiazoleacetonitrile may be used for the preparation of 3-aryl-1-[(E)-cyanomethylidene]-1H-pyrido[2,1-b]benzothiazole-4-carbonitriles, via reaction with with 6-aryl-4-methylsulfanyl-2-oxo-2H-pyran-3-carbonitrile. It may be employed in the preparation of pyrrolones, which can be used for the synthesis of 1-acyl-3-aryl-3H-pyrrolo[2′,3′:4,5]pyrimido[6,1-b]benzothiazol-6-ium-2-olates.

Packaging

1, 5 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) 
Not applicable
Flash Point(C) 
Not applicable

Documents

Certificate of Analysis (COA)

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Protocols & Articles
Peer-Reviewed Papers
15

References

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