Pyrimidine, 4-chloro-2-(methylthio)-6-(trifluoromethyl)-


Chemical Name: Pyrimidine, 4-chloro-2-(methylthio)-6-(trifluoromethyl)-
CAS Number: 16097-63-5
Product Number: AG001VKT(AGN-PC-0JOKBX)
Synonyms:
MDL No:
Molecular Formula: C6H4ClF3N2S
Molecular Weight: 228.6226

Identification/Properties


Properties
MP:
38-39°C
BP:
237.8°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Stability:
Stench
Refractive Index:
1.5050 (25℃)
Computed Properties
Molecular Weight:
228.617g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
1
Exact Mass:
227.974g/mol
Monoisotopic Mass:
227.974g/mol
Topological Polar Surface Area:
51.1A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
178
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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