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Merck
CN

633003

5-Chlorothiophene-2-carboxylic acid

97%

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About This Item

Empirical Formula (Hill Notation):
C5H3ClO2S
CAS Number:
Molecular Weight:
162.59
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
97%
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Quality Level

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

signalword

Danger

hcodes

Hazard Classifications

Acute Tox. 4 Oral - Eye Dam. 1

Storage Class

11 - Combustible Solids

wgk

WGK 1

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Faceshields, Gloves



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"A Novel Synthesis of the Oxazolidinone Antithrombotic Agent Rivaroxaban"
Yuan J, et al.
Molecules (Basel), 19(09), 14999- 11500 (2014)
Man Zhang et al.
Heterocycles, 101(1), 145-164 (2020-08-11)
Neuropathic pain, epilepsy, insomnia, and tremor disorder may arrive from an increase of intracellular Ca2+ concentration through a dysfunction of T-type Ca2+ channels. Thus, T-type calcium channels could be a target in drug discovery for the treatments of neuropathic pain



Global Trade Item Number

SKUGTIN
633003-5G04061832242675
633003-25G04061832242668