1,1,1-Trifluoro-2,4-pentanedione


Chemical Name: 1,1,1-Trifluoro-2,4-pentanedione
CAS Number: 367-57-7
Product Number: AG003D5I(AGN-PC-0WA40N)
Synonyms:
MDL No:
Molecular Formula: C5H5F3O2
Molecular Weight: 154.0872

Identification/Properties


Properties
BP:
105-107°C at N/A mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.388(lit.)
Computed Properties
Molecular Weight:
154.088g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
154.024g/mol
Monoisotopic Mass:
154.024g/mol
Topological Polar Surface Area:
34.1A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
159
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#:
1224
Hazard Statements:
H226-H302-H312-H332
Precautionary Statements:
P280
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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