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Trifluoroacetic acid, anhydride with trifluoromethanesulfonic acid

Trifluoroacetic acid, anhydride with trifluoromethanesulfonic acid - CAS 68602-57-3

Catalog:	BB033593
Product Name:	Trifluoroacetic acid, anhydride with trifluoromethanesulfonic acid
CAS:	68602-57-3
Synonyms:	trifluoromethylsulfonyl 2,2,2-trifluoroacetate

Technical Data

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Computed Properties

IUPAC Name:	trifluoromethylsulfonyl 2,2,2-trifluoroacetate
Description:	Trifluoroacetic acid, anhydride with trifluoromethanesulfonic acid (CAS# 68602-57-3) is a useful research chemical.
Molecular Weight:	246.09
Molecular Formula:	C3F6O4S
Canonical SMILES:	C(=O)(C(F)(F)F)OS(=O)(=O)C(F)(F)F
InChI:	InChI=1S/C3F6O4S/c4-2(5,6)1(10)13-14(11,12)3(7,8)9
InChI Key:	FWJGTOABGBFQNT-UHFFFAOYSA-N
Boiling Point:	62-63 °C (lit.)
MDL:	MFCD00011638
LogP:	2.02230

Publication Number	Title	Priority Date
CN-111943813-A	Preparation method of cannabidiol compound	20190517
WO-2020233502-A1	Method for preparing cannabidiol compound	20190517
CN-111517902-A	Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof	20190201
WO-2020155595-A1	Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photocatalytic oxidation method therefor	20190201
CN-109293821-A	A kind of dyestuff doping type liquid crystal microcapsule material and preparation method thereof	20180930

PMID	Publication Date	Title	Journal
18670179	20080801	[Selective synthesis of benzofurans and dihydrobenzofurans via efficient rearrangement as key reaction]	Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan
14507187	20031002	Efficient protocol for ring opening of spiroketals using trifluoroacetyl trifluoromethanesulfonate (TFAT)	Organic letters

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[17746-05-3]
Undecanoyl chloride
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

GHS Hazard Statement:	H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P260, P264, P270, P280, P301+P310, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501
Signal Word:	Danger

Complexity:	317
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	245.94214862
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	10
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	245.94214862
Rotatable Bond Count:	2
Topological Polar Surface Area:	68.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2