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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.)

functional group

carboxylic acid
chloro

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

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