Propanoic acid, 3,3,3-trifluoro-2-oxo-, ethyl ester


Chemical Name: Propanoic acid, 3,3,3-trifluoro-2-oxo-, ethyl ester
CAS Number: 13081-18-0
Product Number: AG0034X0(AGN-PC-0KK8E1)
Synonyms:
MDL No:
Molecular Formula: C5H5F3O3
Molecular Weight: 170.0866

Identification/Properties


Properties
BP:
58.5°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.341(lit.)
Solubility:
Miscible with dichloromethane.
Computed Properties
Molecular Weight:
170.087g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
3
Exact Mass:
170.019g/mol
Monoisotopic Mass:
170.019g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
172
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#:
3272
Hazard Statements:
H226-H302-H315-H319
Precautionary Statements:
P305+P351+P338
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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