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592862 Sigma-Aldrich

3-Chloro-benzo[b]thiophene-2-carboxylic acid

97%

  • CAS Number 21211-22-3

  • Empirical Formula (Hill Notation) C9H5ClO2S

  • Molecular Weight 212.65

  •  MDL number MFCD00014579

  •  PubChem Substance ID 24881417

  •  NACRES NA.22

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Properties

Related Categories Benzothiophenes, Building Blocks, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks More...
Quality Level   100
assay   97%
mp   268-272 °C (lit.)
SMILES string   OC(=O)c1sc2ccccc2c1Cl
InChI   1S/C9H5ClO2S/c10-7-5-3-1-2-4-6(5)13-8(7)9(11)12/h1-4H,(H,11,12)
InChI key   HJTMIYKPPPYDRJ-UHFFFAOYSA-N

Description

Application

3-Chloro-benzo[b]thiophene-2-carboxylic acid may be used in the synthesis of the following:
• 5-(3-chlorobenzo[b]thiophen-2-yl)-1,3,4-thiadiazol-2-ylamine via condensation with thiosemicarbazide in the presence of POCl3
• 2-benzo[b]thiophen-2-yl-6-methylbenzo[d][1;3]oxazi-4-one via reaction with 2-amino-5-methyl-benzoic acid in the presence of carbonyl diimidazole

Packaging

1, 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 
WGK 3
Flash Point(F) 
Not applicable
Flash Point(C) 
Not applicable

Documents

Certificate of Analysis (COA)

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

References

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