Methyl 2,2-difluoro-2-(fluorosulfonyl)acetate - CAS 680-15-9

Catalog:	BB033459
Product Name:	Methyl 2,2-difluoro-2-(fluorosulfonyl)acetate
CAS:	680-15-9
Synonyms:	methyl 2,2-difluoro-2-fluorosulfonylacetate

Technical Data

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Computed Properties

IUPAC Name:	methyl 2,2-difluoro-2-fluorosulfonylacetate
Description:	Methyl 2,2-difluoro-2-(fluorosulfonyl)acetate (CAS# 680-15-9) is a useful research chemical.
Molecular Weight:	192.11
Molecular Formula:	C3H3F3O4S
Canonical SMILES:	COC(=O)C(F)(F)S(=O)(=O)F
InChI:	InChI=1S/C3H3F3O4S/c1-10-2(7)3(4,5)11(6,8)9/h1H3
InChI Key:	GQJCAQADCPTHKN-UHFFFAOYSA-N
Boiling Point:	117-118 °C
Density:	1.509 g/cm³
MDL:	MFCD00144316
LogP:	1.13230

Publication Number	Title	Priority Date
CN-113416162-A	Double-chiral binaphthyl O-N-N tridentate ligand and preparation method thereof	20210729
CN-113502520-A	Sealing agent suitable for electroplated copper layer and hole sealing method	20210630
CN-112142638-A	Chiral binaphthyl-aza polycyclic ligand and preparation method thereof	20201008
CN-112079791-A	Monocyclic beta-lactam antibiotic side chain acid and ester thereof, preparation method and application thereof	20200821
CN-112661745-A	Compounds useful as CDK7 kinase inhibitors and uses thereof	20200724

PMID	Publication Date	Title	Journal
22612642	20120615	Methyl 2,2-difluoro-2-(fluorosulfonyl)acetate, a difluorocarbene reagent with reactivity comparable to that of trimethylsilyl 2,2-difluoro-2-(fluorosulfonyl)acetate (TFDA)	The Journal of organic chemistry
18928275	20081117	Copper beta-Octakis(trifluoromethyl)corroles: new paradigms for ligand substituent effects in transition metal complexes	Inorganic chemistry

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Related Functional Groups

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Sulfur Compounds

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1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[6633-90-5]
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[2039-96-5]
3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt

GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P370+P378, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	250
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	191.97041423
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	191.97041423
Rotatable Bond Count:	3
Topological Polar Surface Area:	68.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8