CAS 680-15-9 Methyl 2,2-difluoro-2-(fluorosulfonyl)acetate (HCID 547667)

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Grundinformationen

CAS: 680-15-9
Standard-SMILES: COC(=O)C(F)(F)S(=O)(=O)F
InChIKey: GQJCAQADCPTHKN-UHFFFAOYSA-N
Summenformel: C3H3F3O4S
Durchschnittliche Molmasse: 192,12 g/mol
Monoisotopische Masse: 191,97041424

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name: Methyl 2,2-difluoro-2-(fluorosulfonyl)acetate
IUPAC: methyl 2,2-difluoro-2-fluorosulfonylacetate
Englischer Name: Methyl 2,2-difluoro-2-(fluorosulfonyl)acetate
Summenformel: C3H3F3O4S
Molmasse: 192.11

Namen und Synonyme

Methyl 2,2-difluoro-2-(fluorosulfonyl)acetate680-15-9DTXSID50338209RefChem:812850DTXCID40289296629-185-1Methyl FluorosulfonyldifluoroacetateMethyl difluoro(fluorosulfonyl)acetatemethyl 2,2-difluoro-2-fluorosulfonylacetatemethylfluorosulphonyldifluoroacetateMFCD00144316methyl 2-(fluorosulfonyl)difluoroacetate

Weitere Namen anzeigen

2,2-DifLMETHYL FLUOROSULPHONYLDIFLUOROACETATEuorosuLFLUOROSULFONYL(DIFLUORO)ACETIC ACID METHYL ESTERuoro-2-(fLRSSYY(Iberdomide)-2

DIFLUORO(FLUOROSULFONYL)ACETIC ACID METHYL ESTERMETHYL DIFLUORO(FLUOROSULPHONYL)ACETATEFluorosulfonyldifluoroacetic Acid Methyl EsterAcetic acid, difluoro(fluorosulfonyl)-, methyl esterEF10008FSO2CF2CO2CH3METHYL 2-(FLUOROSULPHONYL)DIFLUOROACETATESCHEMBL95855

Datenbank-Bezeichner

CAS: 680-15-9

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,8
Polarare Oberfläche (TPSA): 68,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 7
Frei drehbare Bindungen: 3
Schwere Atome: 11
Formalladung: 0
Komplexität: 250

Physikochemische Eigenschaften

Siedepunkt: 117 · 117-118 °C(lit.)
Dichte: 1.509 g/mL · 1.509 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.351(lit.)
Flammpunkt: 118 °F · 118 °F
storage temp.: 2 · 2-8°C(protect from light)
Aggregatzustand: liquid
Wichte: 1.52 · 1.52
Farbe: colorless to yellow
BRN: 1812896 · 1812896
InChI: InChI=1S/C3H3F3O4S/c1-10-2(7)3(4,5)11(6,8)9/h1H3
InChIKey: GQJCAQADCPTHKN-UHFFFAOYSA-N
SMILES: C(OC)(=O)C(F)(F)S(F)(=O)=O
CAS Datenbank: 680 · 680-15-9(CAS DataBase Reference)
EPA chemische Informationen: 2 · Acetic acid, 2,2-difluoro-2-(fluorosulfonyl)-, methyl ester (680-15-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 51 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Sicherheitsdaten

F: 10-21
wgk: 3
tsca: No
ridadr: UN 2920 8/PG 2
hs_code: 29159000
risk_code: 10-34
hazard_code: C,Xi
hazard_note: Irritant
safety_code: 26-36/37/39-45-16
hazard_class: 3.2
packing_group: III
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Flam. Liq. 3Skin Corr. 1B

Chemie und Industrie

Anwendungen

VerwendenMethyl 2,2-difluoro-2-(fluorosulfonyl)acetate is a useful reagent for the trifluoromethylation of alkyl halides. It is also broadly applicable reagent for perfluoroalkylations for aryl iodides and bromides.