Synonyms
3-Butanedione,4,4,4-trifluoro-1-(2-thienyl)-1
IUPAC Name
4,4,4-Trifluoro-1-thiophen-2-ylbutane-1,3-dione
Molecular Weight
222.19
Molecular Formula
C8H5F3O2S;
InChI
InChI=1S/C8H5F3O2S/c9-8(10,11)7(13)4-5(12)6-2-1-3-14-6/h1-3H,4H2
InChI Key
TXBBUSUXYMIVOS-UHFFFAOYSA-N
Boiling Point
96-98 °C
Melting Point
40-44 °C
Flash Point
233 °F
Purity
95%+
Density
1.4373 g/mL at 25 °C(lit.)
Storage
2-8°C
Complexity
250
Covalently-Bonded Unit Count
1
EC Number
206-316-7
Exact Mass
221.99623506
H-Bond Acceptor
6
Heavy Atom Count
14
Monoisotopic Mass
221.99623506
NSC Number
66544
Odor
Odorless
Physical State
Solid
Rotatable Bond Count
3
Topological Polar Surface Area
62.4 Ų
UNII
MYQ9MNW7NI
