Triethyloxoniumtetrafluoroborat(1-)

Triethyloxonium tetrafluoroborate

HCID 2723982CAS 368-39-8

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Grundinformationen

Standard-SMILES: CC[O+](CC)CC.F[B-](F)(F)F
InChIKey: IYDQMLLDOVRSJJ-UHFFFAOYSA-N
Summenformel: C6.H15.O.B.F4
Durchschnittliche Molmasse: 189,99 g/mol
Monoisotopische Masse: 190,11520838

Überblick

a trialkyloxonium salt (Meerweins' reagents)

Namen und Bezeichner

Bevorzugter Name: Triethyloxonium tetrafluoroborate
IUPAC: triethyloxidanium tetrafluoroborate
Lokaler Name: Triethyloxoniumtetrafluoroborat(1-)
Englischer Name: Triethyloxonium tetrafluoroborate
Summenformel: C6H15BF4O
Molmasse: 189.99

Namen und Synonyme

Triethyloxonium tetrafluoroborate368-39-8Z0B19DD36JOxonium, triethyl-, tetrafluoroborate(1-)NSC-176023DTXSID20883372RefChem:191546DTXCID601022908triethyloxonium, tetrafluoroborate(1-)206-705-1Triethyloxonium fluoroborateTriethyloxonium fluoborate

Weitere Namen anzeigen

Meerwein salttriethyloxoniumMEERWEIN'S REAGENTSKL1448SKL1562TRIETHYLOXTriethyloxytetrafluoroborateTriethyloxonium terafluoroborate

Triethyloxonium borofluorideTriethoxonium fluoroborateTriethyloxonium tetrafluoroborate(1-)Boron tetrafluoride triethyl oxoniumUNII-Z0B19DD36Jtriethyloxidanium;tetrafluoroborateEINECS 206-705-1MFCD00044423

Datenbank-Bezeichner

CAS: 368-39-8
PubChem CID: 2723982
DTXSID: DTXSID20883372
UNII: Z0B19DD36J
EC Number: 206-705-1

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 3
Schwere Atome: 12
Formalladung: 0
Komplexität: 44,8

Physikochemische Eigenschaften

Schmelzpunkt: 96 · 96-97°C
Dichte: 1.328 g/mL · 1.328 g/mL at 25 °C
storage temp.: 2 · 2-8°C
Löslichkeit: 20 mg/mL, · methylene chloride: 20 mg/mL, clear, colorless
Aggregatzustand: Powder
Farbe: White
Wasserlöslichkeit: REACTS
Merck: 14 · 14,5796
BRN: 3598090 · 3598090
InChI: InChI=1S/C6H15O.BF4/c1-4-7(5-2)6-3;2-1(3,4)5/h4-6H2,1-3H3;/q+1;-1
InChIKey: IYDQMLLDOVRSJJ-UHFFFAOYSA-N
SMILES: [B-](F)(F)(F)F.[O+](CC)(CC)CC
CAS Datenbank: 368 · 368-39-8(CAS DataBase Reference)
EPA chemische Informationen: Oxonium, triethyl-, tetrafluoroborate(1-) (368-39-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

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

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

Aggregated GHS information provided per 46 reports by companies from 3 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory InformationTriethyloxonium tetrafluoroborate: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Sicherheit und Schutzausrüstung

Protective Action Criteria (PAC) · 3 Einträge

19 [mg/m3]

210 [mg/m3]

1300 [mg/m3]

Sicherheitsdaten

F: 3-10-16-21
wgk: 2
tsca: TSCA listed
ridadr: UN 3265 8/PG 2
hs_code: 29420000
RTECS-Nr.: RR4584700
risk_code: 34-40-14-67-37
Toxizität: dnd-smc 500 mmol/L CPBTAL 23,2485,75
hazard_code: C
hazard_note: Corrosive
safety_code: 23-24/25-26-36/37/39-45-22
hazard_class: 4.1
packing_group: II
Speicherklasse: 8A - Combustible, corrosive hazardous materials
Hazard Classifications: Eye Dam. 1Skin Corr. 1B

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationOxonium, triethyl-, tetrafluoroborate(1-) (1:1): ACTIVE

Anwendungen · 1 Eintrag

VerwendenTriethyloxonium tetrafluoroborate is used as a powerful alkylating agent, especially for ethylation. It is used for the modification of carboxyl residues in proteins. It is involved in the preparation of μ-amino esters from lactams. It is also alkylating agent for nucleophilic functional groups in organic synthesis.