Difluoromethyl trifluoromethanesulfonate

HCID 542802CAS 1885-46-7
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Grundinformationen

Standard-SMILES
O=S(=O)(OC(F)F)C(F)(F)F
InChIKey
DAANAKGWBDWGBQ-UHFFFAOYSA-N
Summenformel
C2HF5O3S
Durchschnittliche Molmasse
200,09 g/mol
Monoisotopische Masse
199,95665599

Namen und Bezeichner

Bevorzugter Name
Difluoromethyl trifluoromethanesulfonate
IUPAC
difluoromethyl trifluoromethanesulfonate
Englischer Name
Trifluoromethanesulfonic acid difluoromethyl ester
Summenformel
C2HF5O3S
Molmasse
200.08

Namen und Synonyme

Difluoromethyl trifluoromethanesulfonate1885-46-7DTXSID501015841RefChem:587463DTXCID901473994808-845-4Trifluoromethanesulfonic acid difluoromethyl esterC2HF5O3SDifluoromethyl triflateMFCD28054469Difluoromethyl triflate, 95%SCHEMBL775774
Weitere Namen anzeigen
Difluoromethyl triflate 95%Difluoromethyl trifluoromethanesulfonate 95%Methanesulfonic acid, 1,1,1-trifluoro-, difluoromethyl ester
DAANAKGWBDWGBQ-UHFFFAOYSA-DifluoromethyltrifluoromethanesulfonateDifluoromethyltrifluoromethanesulfonBAA88546DifluorMethyl TrifluoromethanesulfonateAKOS025396846difluoromethyl trifluormethanesulphonateAT13021

Datenbank-Bezeichner

CAS
1885-46-7
PubChem CID
542802
DTXSID
DTXSID501015841
EC Number
808-845-4
Nikkaji
J597.144F

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,8
Polarare Oberfläche (TPSA)
51,8 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
8
Frei drehbare Bindungen
2
Schwere Atome
11

Physikochemische Eigenschaften

Siedepunkt
48.5 · 48.5-49 °C
Dichte
1.584 g/mL · 1.584 g/mL at 25 °C
Flammpunkt
57 ℃ · 57℃
storage temp.
2 · 2-8°C
Aggregatzustand
liquid
Farbe
Clear, colourless

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, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

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

Sicherheitsdaten

wgk
3
ridadr
UN 2920 3(8) / PGII
hs_code
2905190098
risk_code
22-34
hazard_code
C,Xn
safety_code
26-36/37/39-45

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenDifluoromethyl triflate (TfO-CHF2) can be used as a reagent: In difluoromethylation reaction. To prepare difluoromethoxylated heterocycles by reacting with hydroxylated N-based heterocycles. To synthesize trifluoromethylated arenes by treating with diaryliodonium salts in the presence of copper and tetrabutylammonium difluorotriphenylsilicate (TBAT).It allows for a simple method toward the preparation of difluoromethyl ethers and thioethers under basic conditions from alcohols and thiols. Difluoromethyl phenols can also be obtained in a single pot from boronic acids and C-H activation of arenes.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

上海康恩博医药科技有限公司17510465506 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]

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