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633003

Sigma-Aldrich

5-Chlorothiophene-2-carboxylic acid

97%

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About This Item

Empirical Formula (Hill Notation):
C5H3ClO2S
CAS Number:
Molecular Weight:
162.59
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Assay

97%

mp

154-158 °C (lit.)

SMILES string

OC(=O)c1ccc(Cl)s1

InChI

1S/C5H3ClO2S/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H,7,8)

InChI key

QZLSBOVWPHXCLT-UHFFFAOYSA-N

Application

5-Chlorothiophene-2-carboxylic acid can be used in the synthesis of the following:
  • rivaroxaban, an oxazolidinone derivative used in the treatment of thromboembolic disorders
  • 5-chloro-4-nitrothiophene-2-carboxylic acid, which can be used in the synthesis of thieno[2,3-b][1,4]thiapezine-5-ones

Pictograms

CorrosionExclamation mark

Signal Word

Danger

Hazard Statements

Hazard Classifications

Acute Tox. 4 Oral - Eye Dam. 1

Storage Class Code

11 - Combustible Solids

WGK

WGK 1

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

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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