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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
Recommended Products
Quality Level
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
Signal Word
Danger
Hazard Statements
Precautionary 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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