Bi(OTf)3

HCID 9917655

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Grundinformationen

CAS: 88189-03-1
Standard-SMILES: O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Bi+3]
InChIKey: NYENCOMLZDQKNH-UHFFFAOYSA-K
Summenformel: C3BiF9O9S3
Durchschnittliche Molmasse: 656,2 g/mol
Monoisotopische Masse: 655,83647

Namen und Bezeichner

Bevorzugter Name: Bi(OTf)3
IUPAC: bismuth tris(trifluoromethanesulfonate)
Englischer Name: Bismuth(III) trifluoromethanesulfonate
Summenformel: 3CF3O3S.Bi
Molmasse: 656.18

Namen und Synonyme

Bismuth Trifluoromethanesulfonatebismuth(iii) triflateRefChem:569505Bi(OTf)3Bismuth(III) trifluoromethanesulfonate88189-03-1Bismuth triflatebismuth;trifluoromethanesulfonateBismuth(3+) triflateBismuth triflate [MI]Bismuth tris(trifluoromethanesulfonate)Bismuth(3+) trifluoromethanesulfonate

Weitere Namen anzeigen

BISMUTH(III)TRIFLATEBISMUTH(III)TRIFLUOROMETHANESULPHONATEBisMuth(Ⅲ) trifluoroMethanesulfonateBismuth(III) trifluoromethanesulfonatTrifluoromethanesulfonicacidbismuthsalt

MFCD02093669UNII-51KD8E1741C3BiF9O9S351KD8E1741Methanesulfonic acid, 1,1,1-trifluoro-, bismuth(3+) salt (3:1)Bismuth(III)trifluoromethanesulfonateBismuth(III) Trifluoromethanesulfonate (3:1)bismuth (III) triflate

Datenbank-Bezeichner

CAS: 88189-03-1
PubChem CID: 9917655
DTXSID: DTXSID70432758
UNII: 51KD8E1741
EC Number: 628-926-6
Nikkaji: J1.017.150D

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 197 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 18
Frei drehbare Bindungen: 0
Schwere Atome: 25
Formalladung: 0
Komplexität: 145

Physikochemische Eigenschaften

Schmelzpunkt: 300 °C · 300 °C
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: Soluble in organics acetonitrile, dioxane, dimethyl formamide and dimethyl sulfoxide.
Aggregatzustand: Liquid
Farbe: Clear colorless
Stabilität: hygroscopic
InChI: InChI=1S/3CHF3O3S.Bi/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;;;+3/p-3
InChIKey: HIYUMYXSGIKHHE-UHFFFAOYSA-M
SMILES: C(F)(S([O-])(=O)=O)(F)F.C(F)(F)(F)S([O-])(=O)=O.C(F)(F)(F)S([O-])(=O)=O.[Bi+3]

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H314 (12.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (85.1%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (85.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (85.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 5 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 (12.8%)；Skin Irrit. 2 (85.1%)；Eye Irrit. 2 (85.1%)；STOT SE 3 (85.1%)

Sicherheitsdaten

wgk: 3
tsca: No
hs_code: 29049090
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-24/25
hazard_class: 8
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenBismuth(III) trifluoromethanesulfonate acts as a catalyst in Friedel-Crafts acylation and cycloisomerization of allene-enol ethers. It behaves as a direct substitution catalyst and involved in the substitution of allylic, propargylic, and benzylic alcohols with sulfonamides, carboxamides and carbamates. Further, it is also used in Mukaiyama aldol reactions.