Butanoic acid, 2-chloro-4,4,4-trifluoro-3-oxo-, ethyl ester


Chemical Name: Butanoic acid, 2-chloro-4,4,4-trifluoro-3-oxo-, ethyl ester
CAS Number: 363-58-6
Product Number: AG0034UG(AGN-PC-0KK8C1)
Synonyms:
MDL No:
Molecular Formula: C6H6ClF3O3
Molecular Weight: 218.5582

Identification/Properties


Properties
BP:
174.8°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Refractive Index:
1.388
Computed Properties
Molecular Weight:
218.556g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
4
Exact Mass:
217.996g/mol
Monoisotopic Mass:
217.996g/mol
Topological Polar Surface Area:
43.4A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
214
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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#:
1760
Hazard Statements:
H314-H318
Precautionary Statements:
P280-P301+P330+P331-P302+P352-P304+P340-P305+P351+P338-P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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