1,3-Butanedione, 4,4,4-trifluoro-1-phenyl-


Chemical Name: 1,3-Butanedione, 4,4,4-trifluoro-1-phenyl-
CAS Number: 326-06-7
Product Number: AG003O30(AGN-PC-0JL7WG)
Synonyms:
MDL No:
Molecular Formula: C10H7F3O2
Molecular Weight: 216.1566

Identification/Properties


Properties
MP:
38-40 °C(lit.)
BP:
240.9°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Solubility:
95% ethanol: soluble25mg/mL, clear, colorless to yellow
Computed Properties
Molecular Weight:
216.159g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
216.04g/mol
Monoisotopic Mass:
216.04g/mol
Topological Polar Surface Area:
34.1A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
252
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#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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