1,1,1-Trifluoroacetone

Base Information Edit

Chemical Name:1,1,1-Trifluoroacetone
CAS No.:421-50-1
Molecular Formula:C3H3F3O
Molecular Weight:112.051
Hs Code.:29147090
European Community (EC) Number:207-005-9
NSC Number:66412
UNII:K987U5C2CX
DSSTox Substance ID:DTXSID9059963
Nikkaji Number:J48E
Wikipedia:Trifluoroacetone
Wikidata:Q18611652
Mol file:421-50-1.mol

Synonyms:1,1,1-TRIFLUOROACETONE;421-50-1;Trifluoroacetone;1,1,1-trifluoropropan-2-one;Methyl trifluoromethyl ketone;1,1,1-Trifluoro-2-propanone;2-Propanone, 1,1,1-trifluoro-;Trifluoromethyl methyl ketone;3,3,3-Trifluoroacetone;1,1,1-tris(fluoranyl)propan-2-one;K987U5C2CX;EINECS 207-005-9;MFCD00000423;NSC 66412;NSC-66412;trifluoracetone;Trifluoroketone;1,1-Trifluoroacetone;3,3-Trifluoroacetone;CF3COCH3;CH3COCF3;1,1,1,-trifluoroacetone;1,1-Trifluoro-2-propanone;UNII-K987U5C2CX;SCHEMBL16821;2-Propanone,1,1-trifluoro-;DTXSID9059963;1,1,1,tri-fluoro-2-propanone;1,1,1-trifluoro-propan-2-one;2-propanone, 1,1,1-trifluoro;1,1,1-Trifluoroacetone, 97%;AMY3622;BDBM198123;NSC66412;STL146437;AKOS000118834;FS-5809;I+/-, I+/-, I+/- -Trifluoroacetone;FT-0605949;T2921;F10887;A825791;W-106279;Q18611652;F0001-1176

Suppliers and Price of 1,1,1-Trifluoroacetone

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Usbiological
1,1,1-Trifluoroacetone
2g
$ 336.00

TCI Chemical
1,1,1-Trifluoroacetone (in cylinder without valve) [To use this product charged in cylinder, a valve is required which is sold separately (Product Code:V0030)]
100G
$ 385.00

SynQuest Laboratories
1,1,1-Trifluoroacetone, 60% in water
1 kg
$ 495.00

SynQuest Laboratories
1,1,1-Trifluoroacetone - For bulk pricing, see 98%
500 g
$ 495.00

SynQuest Laboratories
1,1,1-Trifluoroacetone - For bulk pricing, see 98%
5 g
$ 15.00

SynQuest Laboratories
1,1,1-Trifluoroacetone, 60% in water
100 g
$ 175.00

SynQuest Laboratories
1,1,1-Trifluoroacetone - For bulk pricing, see 98%
100 g
$ 165.00

SynQuest Laboratories
1,1,1-Trifluoroacetone, 60% in water
25 g
$ 75.00

SynQuest Laboratories
1,1,1-Trifluoroacetone - For bulk pricing, see 98%
25 g
$ 55.00

Sigma-Aldrich
1,1,1-Trifluoroacetone 97%
5g
$ 37.60

Total 72 raw suppliers

Chemical Property of 1,1,1-Trifluoroacetone Edit

Chemical Property:

Appearance/Colour:Clear colourless liquid
Vapor Pressure:13.62 psi ( 20 °C)
Melting Point:-78 °C
Refractive Index:n20/D 1.3(lit.)
Boiling Point:21.5 °C at 760 mmHg
Flash Point:-23 °F
PSA：17.07000
Density:1.223 g/cm³
LogP:1.13770
Storage Temp.:2-8°C
Sensitive.:Lachrymatory
Solubility.:Chloroform, Methanol
Water Solubility.:Miscible
XLogP3:1.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:0
Exact Mass:112.01359920
Heavy Atom Count:7
Complexity:82.7

Purity/Quality:

99% ^*data from raw suppliers

1,1,1-Trifluoroacetone ^*data from reagent suppliers

Safty Information:

Pictogram(s): F+, Xi, F
Hazard Codes:F+,Xi,F
Statements: 12-36/37/38
Safety Statements: 16-26-29-33-36-7/9-9-37/39-39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Chemical Classes:Other Classes -> Halogenated Ketones
Canonical SMILES:CC(=O)C(F)(F)F
Uses 1,1,1-Trifluoroacetone is used as intermediate of bioactive substance and antihypertensive drug, and as effective synthetic building block and trifluoromethyl reaction reagent. 1,1,1-Trifluoroacetone is a general chemical reagent used in the synthesis of glucokinase-glucokinase regulatory protein) GK-GKRP disruptors which may act as potential targets for type II diabetics. Reactant for enantioselective cycloadditions. Used in a synthesis of 2-trifluoromethyl-7-azaindoles starting with 2,6-dihalopyridines. The derived chiral imine was used to prepare enantiopure α-trifluoromethyl alanines and diamines via a Strecker reaction followed by either nitrile hydrolysis or reduction.

Technology Process of 1,1,1-Trifluoroacetone

There total 68 articles about 1,1,1-Trifluoroacetone which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 91.5%