1,3-Butanedione, 4,4,4-trifluoro-1-(4-methylphenyl)-


Chemical Name: 1,3-Butanedione, 4,4,4-trifluoro-1-(4-methylphenyl)-
CAS Number: 720-94-5
Product Number: AG005K89(AGN-PC-0BXAV1)
Synonyms:
MDL No:
Molecular Formula: C11H9F3O2
Molecular Weight: 230.1832

Identification/Properties


Properties
MP:
44-46 °C
BP:
269.9°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
230.186g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
230.055g/mol
Monoisotopic Mass:
230.055g/mol
Topological Polar Surface Area:
34.1A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
275
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:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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