2-Thenoyltrifluoroacetone

Catalog	ACM326910
CAS	326-91-0
Structure
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;
Canonical SMILES	C1=CSC(=C1)C(=O)CC(=O)C(F)(F)F
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
Exact Mass	221.99623506
Monoisotopic Mass	221.99623506
Odor	Odorless
Physical State	Solid
Storage Conditions	2-8 °C
Topological Polar Surface Area	62.4 Ų