Methanesulfonic acid, 1,1,1-trifluoro-, anhydride with B,B-dibutylborinic acid

HCID 2724243CAS 60669-69-4

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: CCCCB(CCCC)OS(=O)(=O)C(F)(F)F
InChIKey: FAVAVMFXAKZTMV-UHFFFAOYSA-N
Summenformel: C9H18BF3O3S
Durchschnittliche Molmasse: 274,11 g/mol
Monoisotopische Masse: 274,1021803

Namen und Bezeichner

Bevorzugter Name: Methanesulfonic acid, 1,1,1-trifluoro-, anhydride with B,B-dibutylborinic acid
IUPAC: dibutylboranyl trifluoromethanesulfonate
Englischer Name: Dibutylboron trifluoromethanesulfonate
Summenformel: C9H18BF3O3S
Molmasse: 274.11

Namen und Synonyme

60669-69-4RefChem:811498Methanesulfonic acid, 1,1,1-trifluoro-, anhydride with B,B-dibutylborinic acid612-008-7dibutylboranyl trifluoromethanesulfonateDibutylboron trifluoromethanesulfonateDIBUTYLBORYL TRIFLUOROMETHANESULFONATEDibutylboron triflateC9H18BF3O3SDibutylboron triflate; Dibutylboron trifluoromethanesulfonate; Dibutylboryl triflateDibutylboryl trifluoromethanesulfonate - 1M dichloromethane solutionnBu2BOTf

Weitere Namen anzeigen

dibutylboryl triflateDibutylboryl trifluoromethanesulfonate solutiondibutylboron triflate solutionDi-Butyl Boron Triflate (1.0M in Toluene)Dibutylboron trifluoromethanesulfonate,98%

Bu2BOTf(n-Bu)2BOTfDibutyl(((trifluoromethyl)sulfonyl)oxy)boraneSCHEMBL408053DTXSID20369121BP-20540AMFCD00009669AKOS015915614

Datenbank-Bezeichner

CAS: 60669-69-4
PubChem CID: 2724243
DTXSID: DTXSID20369121
EC Number: 612-008-7
Nikkaji: J274.160A

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 51,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 8
Schwere Atome: 17
Formalladung: 0
Komplexität: 290

Experimentelle und physikochemische Eigenschaften

Density0.815 @25 °C

Physikochemische Eigenschaften

Siedepunkt: 37 ℃ · 37℃ (0.12 Torr)
Dichte: 1.271 g/mL · 1.271 g/mL at 25 °C
Flammpunkt: 80 °F · 80 °F
storage temp.: 2 · 2-8°C
Aggregatzustand: Solution
Farbe: Clear light yellow to orange
BRN: 1968660 · 1968660
InChI: InChI=1S/C9H18BF3O3S/c1-3-5-7-10(8-6-4-2)16-17(14,15)9(11,12)13/h3-8H2,1-2H3
InChIKey: FAVAVMFXAKZTMV-UHFFFAOYSA-N
SMILES: B(CCCC)(CCCC)OS(=O)(=O)C(F)(F)F

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (73.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 144 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Corr. 1B (100%)；Eye Dam. 1 (73.6%)

Sicherheit und Schutzausrüstung

Protective Action Criteria (PAC) · 3 Einträge

36 [mg/m3]

400 [mg/m3]

2400 [mg/m3]

Sicherheitsdaten

F: 1-10
wgk: 3
ridadr: UN 2924 3/PG 1
hs_code: 29310099
risk_code: 12-22-34-66-67-40-10-37-65-48/20-11-63-19
hazard_code: C,F+,F
safety_code: 9-16-26-33-36/37/39-45-62
hazard_class: 3.2
packing_group: III
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Carc. 2Eye Dam. 1Flam. Liq. 3Skin Corr. 1BSTOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenDibutylboryl trifluoromethanesulfonate may be used in the following studies:Stereo- and regio-selective synthesis of erythro aldols. As a promoter for the solution and polymer-supported trichloroacetimidate-based glycosylations.Synthesis of β-alkoxy carbonyl compounds via one-step Mukaiyama aldol-type reaction.Aldol-type cyclization for the stereoselective synthesis of cyclic ethers.As a reagent for the formation of boron enolates. As a complexation aid for the isolation of 1-acyldipyrromethanes.As a promoter in [1,2]-Wittig reaction between aldehydes and O-benzyl or O-allyl glycolate esters, creating two contiguous stereocenters (1,2-diol) in good yield without the need for strong base.