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Sigma-Aldrich

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

97%

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About This Item

Empirical Formula (Hill Notation):
C9H5ClO2S
CAS Number:
21211-22-3
Molecular Weight:
212.65
MDL number:
MFCD00014579
UNSPSC Code:
12352100
PubChem Substance ID:
24881417
NACRES:
NA.22

assay

97%

form

solid

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

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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

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H302

Hazard Classifications

Acute Tox. 4 Oral

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Synthesis and biological activity of new 1,3,4-thiadiazole derivatives?
Aly.A.A and Sayed-LE.R
Chemical Papers, 60(01), 56-60 (2006)
Neutral Inhibitors of the Serine Protease Factor Xa?
Shrader.DW, et al.
Bioorganic & Medicinal Chemistry Letters, 11(14), 1801- 1804 (2001)
Michael D Neinast et al.
Cell metabolism, 29(2), 417-429 (2018-11-20)
Elevations in branched-chain amino acids (BCAAs) associate with numerous systemic diseases, including cancer, diabetes, and heart failure. However, an integrated understanding of whole-body BCAA metabolism remains lacking. Here, we employ in vivo isotopic tracing to systemically quantify BCAA oxidation in healthy

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