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3-CHLOROBENZO[B]THIOPHENE-2-CARBOXYLIC ACID

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3-CHLOROBENZO[B]THIOPHENE-2-CARBOXYLIC ACID Basic information
Product Name:3-CHLOROBENZO[B]THIOPHENE-2-CARBOXYLIC ACID
Synonyms:3-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID;3-CHLORO-2-BENZO[B]THIOPHENE CARBOXYLIC ACID;AKOS BBB/202;AKOS B000001;AKOS AU36-M200;3-CHLOROBENZO(B)THIOPHENE-2-CARBOXYLIC &;BUTTPARK 30\06-07;ART-CHEM-BB B000001
CAS:21211-22-3
MF:C9H5ClO2S
MW:212.65
EINECS:626-897-4
Product Categories:Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Benzothiophenes;BenzothiophenesHeterocyclic Building Blocks;Building Blocks;Halogenated Heterocycles;Heterocyclic Building Blocks
Mol File:21211-22-3.mol
3-CHLOROBENZO[B]THIOPHENE-2-CARBOXYLIC ACID Structure
3-CHLOROBENZO[B]THIOPHENE-2-CARBOXYLIC ACID Chemical Properties
Melting point 268-272 °C(lit.)
Boiling point 395.1±22.0 °C(Predicted)
density 1.546±0.06 g/cm3(Predicted)
storage temp. Keep in dark place,Sealed in dry,Room Temperature
form powder to crystal
pka2.27±0.30(Predicted)
color White to Light yellow
BRN 1425602
InChI1S/C9H5ClO2S/c10-7-5-3-1-2-4-6(5)13-8(7)9(11)12/h1-4H,(H,11,12)
InChIKeyHJTMIYKPPPYDRJ-UHFFFAOYSA-N
SMILESOC(=O)c1sc2ccccc2c1Cl
CAS DataBase Reference21211-22-3(CAS DataBase Reference)
Safety Information
Hazard Codes Xn,Xi
Risk Statements 22
Safety Statements 26-36
WGK Germany 3
HazardClass IRRITANT
HS Code 29349990
Storage Class11 - Combustible Solids
Hazard ClassificationsAcute Tox. 4 Oral
MSDS Information
ProviderLanguage
SigmaAldrich English
ALFA English
3-CHLOROBENZO[B]THIOPHENE-2-CARBOXYLIC ACID Usage And Synthesis
Chemical PropertiesWhite solid
Uses3-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
3-CHLOROBENZO[B]THIOPHENE-2-CARBOXYLIC ACID Preparation Products And Raw materials
Raw materialsThionyl chloride-->Hexane-->Pyridine-->Chlorobenzene-->trans-Cinnamic acid
Tag:3-CHLOROBENZO[B]THIOPHENE-2-CARBOXYLIC ACID(21211-22-3) Related Product Information
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