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

ALDRICH/235970 - 98%

Synonym: α,α,α-Trifluoroacetylacetone; 1,1,1-Trifluoroacetylacetone

CAS Number: 367-57-7
Empirical Formula (Hill Notation): C₅H₅F₃O₂
Molecular Weight: 154.09
EC Number: 206-698-5
MDL Number: MFCD00000427
Linear Formula: CH₃COCH₂COCF₃
Product Type: Chemical

Catalog Number	PKG Qty.	Price


45-235970-10G	10 g	$85.30 1/EA	Add To Favorites
45-235970-25G	25 g	$102.00 1/EA	Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

assay	98%
bp	105-107 °C (lit.)
density	1.27 g/mL at 25 °C (lit.)
form	liquid
InChI	1S/C5H5F3O2/c1-3(9)2-4(10)5(6,7)8/h2H2,1H3
InChI key	SHXHPUAKLCCLDV-UHFFFAOYSA-N
Quality Level	100
refractive index	n20/D 1.388 (lit.)
SMILES string	CC(=O)CC(=O)C(F)(F)F
storage temp.	2-8°C

Application:	1,1,1-Trifluoro-2,4-pentanedione has been used as reagent in the preparation of 2-alkylcarbonyl and 2-benzoyl-3-trifluoromethylquinoxaline 1,4-di-N-oxide derivatives.
General description:	1,1,1-Trifluoro-2,4-pentanedione is known as trifluoro-acetylacetone (TFAA). Molecular structure of 1,1,1-trifluoro-pentane-2,4-dione has been investigated by Density Functional Theory (DFT) calculations.
General description:	May darken in storage
Packaging:	10, 25 g in glass bottle

Symbol	GHS02,GHS07
Signal word	Warning
Hazard statements	H226 - H302 + H312 + H332
Precautionary statements	P210 - P280 - P301 + P312 + P330 - P302 + P352 + P312 - P304 + P340 + P312
Hazard Codes	Xn
Risk Statements	10-20/21/22
Safety Statements	36/37
RIDADR	UN1224 - class 3 - PG 3 - Ketones, liquid, n.o.s., HI: all
WGK Germany	WGK 3
Flash Point(F)	78.8 °F - closed cup
Flash Point(C)	26 °C - closed cup

Purity	98%
bp	105-107 °C (lit.)
Density	1.27 g/mL at 25 °C (lit.)
Refractive Index	n20/D 1.388 (lit.)
Storage Temp.	2-8°C
UNSPSC	12352100

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