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


Chemical Name: Pyrimidine, 2-chloro-4-(trifluoromethyl)-
CAS Number: 33034-67-2
Product Number: AG003GWJ(AGN-PC-0KKVS3)
Synonyms:
MDL No:
Molecular Formula: C5H2ClF3N2
Molecular Weight: 182.5310

Identification/Properties


Properties
BP:
222.1°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.447(lit.)
Computed Properties
Molecular Weight:
182.53g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
0
Exact Mass:
181.986g/mol
Monoisotopic Mass:
181.986g/mol
Topological Polar Surface Area:
25.8A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
138
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:
Danger
UN#:
1993
Hazard Statements:
H226-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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