145289
4-Chloro-2-methylthiopyrimidine
98%
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About This Item
Empirical Formula (Hill Notation):
C5H5ClN2S
CAS Number:
Molecular Weight:
160.62
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
256-500-6
MDL number:
Assay:
98%
Quality Segment
assay
98%
refractive index
n
bp
139-140 °C/36 mmHg (lit.)
mp
−2 °C (lit.)
density
1.381 g/mL at 25 °C (lit.)
functional group
chloro, thioether
SMILES string
CSc1nccc(Cl)n1
InChI
1S/C5H5ClN2S/c1-9-5-7-3-2-4(6)8-5/h2-3H,1H3
InChI key
DFOHHQRGDOQMKG-UHFFFAOYSA-N
Application
4-Chloro-2-methylthiopyrimidine was used in the total synthesis of the marine alkaloid variolin B1 and 2-hydroxy-4-pyrimidinecarboxylic acid. It was used in the synthesis of 2,4-disubstituted pyrimidines, a novel class of KDR kinase inhibitors. It was used as building block in medicinal chemistry synthesis.
Signal Word
Danger
Hazard Codes
Precautionary Statements
Hazard Classifications
Skin Corr. 1B
Storage Class
8A - Combustible corrosive hazardous materials
WGK
WGK 3
Flash Point (°F)
235.4 °F - closed cup
Flash Point (°C)
113 °C - closed cup
PPE (personal protective equipment)
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
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