5-Pyrimidinecarboxylic acid, 2-chloro-4-(trifluoromethyl)-, methyl ester


Chemical Name: 5-Pyrimidinecarboxylic acid, 2-chloro-4-(trifluoromethyl)-, methyl ester
CAS Number: 175137-27-6
Product Number: AG0020AU(AGN-PC-0KYRQB)
Synonyms:
MDL No:
Molecular Formula: C7H4ClF3N2O2
Molecular Weight: 240.5671

Identification/Properties


Properties
MP:
253-254 °C
BP:
324.899 °C at 760 mmHg
Storage:
2-8℃;Inert atmosphere;
Form:
Solid
Computed Properties
Molecular Weight:
240.566g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
2
Exact Mass:
239.991g/mol
Monoisotopic Mass:
239.991g/mol
Topological Polar Surface Area:
52.1A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
249
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#:
2810
Hazard Statements:
H301-H315-H319-H335
Precautionary Statements:
P261-P301+P310-P305+P351+P338
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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