Triethylammoniumfluorid

N,N-Diethylethanamine trihydrofluoride

HCID 175505CAS 73602-61-6

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Grundinformationen

Standard-SMILES: CCN(CC)CC.F.F.F
InChIKey: IKGLACJFEHSFNN-UHFFFAOYSA-N
Summenformel: C6H18F3N
Durchschnittliche Molmasse: 161,21 g/mol
Monoisotopische Masse: 161,13913424

Überblick

See also: Triethylammonium fluoride (annotation moved to).

Namen und Bezeichner

Bevorzugter Name: N,N-Diethylethanamine trihydrofluoride
IUPAC: N,N-diethylethanamine;trihydrofluoride
Lokaler Name: Triethylammoniumfluorid
Englischer Name: Triethylamine trihydrofluoride
Summenformel: C6H18F3N
Molmasse: 161.21

Namen und Synonyme

Triethylamine trihydrofluorideN,N-Diethylethanamine trihydrofluoridetriethylamine trishydrofluorideEINECS 277-550-5DTXSID2074372Ethanamine, N,N-diethyl-, hydrofluoride (1:3)RefChem:822328DTXCID7047568Ethanamine, N,Ndiethyl, trihydrofluorideEthanamine, N,Ndiethyl, hydrofluoride (1:3)UN179073602-61-6

Weitere Namen anzeigen

HFTEA.3HFTRIETHYLAMINE TRIS(HYDROGEN FLUORIDE)Triethylamine trihydroflourideTREAT-HFtrihydrofluorideTriethylamine trihydriethylamine trihydrofluorideHYDROGEN FLUORIDE TRIETHYLAMINE

Ethanamine, N,N-diethyl-, trihydrofluorideN,N-diethylethanamine;trihydrofluorideMFCD00043294hydrogen fluoride in triethylaminehf 37% in triethylamineC6H18F3NTREAT HFZX9Z7YP3AB

Datenbank-Bezeichner

CAS: 73602-61-6
PubChem CID: 175505
DTXSID: DTXSID2074372
UNII: ZX9Z7YP3AB

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 3,2 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 3
Schwere Atome: 10
Formalladung: 0
Komplexität: 25,7

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Other Nitrogen Compounds

Physical DescriptionColorless liquid with a pungent odor; Hygroscopic; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: -29 · -29--27°C
Siedepunkt: 70 °C15 · 70 °C15 mm Hg(lit.)
Dichte: 0.989 g/mL · 0.989 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.3915(lit.)
Flammpunkt: 190 °F · 190 °F
storage temp.: 30 °C · Store below +30°C.
Löslichkeit: soluble in Chloroform, Hexane
Aggregatzustand: Liquid
Wichte: 0.989 · 0.989
Farbe: Clear yellow to brown
PH: 3 · 3 (H2O, 20℃)(saturated aqueous solution)
Wasserlöslichkeit: soluble
BRN: 5522945 · 5522945
InChI: 1S/C6H15N.3FH/c1-4-7(5-2)6-3;;;/h4-6H2,1-3H3;3*1H
InChIKey: IKGLACJFEHSFNN-UHFFFAOYSA-N
SMILES: F[H].F[H].F[H].CCN(CC)CC
CAS Datenbank: 73602 · 73602-61-6(CAS DataBase Reference)
EPA chemische Informationen: Ethanamine, N,N-diethyl-, trihydrofluoride (73602-61-6)

Sicherheit und Regulatorisches

Gefahrenhinweise

Regulatory Information · 2 Einträge

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Triethylamine trishydrofluoride: HSNO Approval: HSR006811 Approved with controls

Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Highly toxic by ingestion, inhalation, and skin absorption; [Alfa Aesar MSDS] See Hydrogen fluoride. See Triethylamine hydrochloride.

Toxikologische Informationen

Adverse EffectsDermatotoxin - Skin burns.

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 3265 8/PG 2
hs_code: 29211910
risk_code: 26/27/28-35-36/37/38-20/21/22-11
hazard_code: T+,T,C,Xi,F
hazard_note: Corrosive
safety_code: 26-36/37/39-45-7/9-36/37-36-61-29-16-3
hazard_class: 8
packing_group: II
Speicherklasse: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard Classifications: Acute Tox. 1 DermalAcute Tox. 2 InhalationAcute Tox. 2 OralEye Dam. 1Skin Corr. 1A

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationEthanamine, N,N-diethyl-, hydrofluoride (1:3): ACTIVE

Anwendungen · 1 Eintrag

VerwendenTriethylamine trihydrofluoride acts as a mild and selective fluorinating agent used in the synthesis of acid fluorides and alkyl fluorides. It is also used in the synthesis of vicinal difluorides from epoxides, 3-fluoroazetidine. It is utilized as a selective reagent for the cleavage of O-silyl groups in carbohydrates, nucleotides and cyanohydrins. It is actively involved in the electrochemical fluorodeiodination of alkyl iodides and fluorodesilylation in beta-lactams.