(Diethylamino)schwefeltrifluorid

(Diethylamino)sulfur trifluoride

HCID 123472CAS 38078-09-0

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Grundinformationen

Standard-SMILES: CCN(CC)S(F)(F)F
InChIKey: CSJLBAMHHLJAAS-UHFFFAOYSA-N
Summenformel: C4H10F3NS
Durchschnittliche Molmasse: 161,19 g/mol
Monoisotopische Masse: 161,04860498

Überblick

fluorinating agent for carbohydrates

Namen und Bezeichner

Bevorzugter Name: (Diethylamino)sulfur trifluoride
IUPAC: N-ethyl-N-(trifluoro-λ4-sulfanyl)ethanamine
Lokaler Name: (Diethylamino)schwefeltrifluorid
Englischer Name: Diethylaminosulfur trifluoride
Summenformel: C4H10F3NS
Molmasse: 161.19

Namen und Synonyme

Diethylaminosulfur trifluoride38078-09-0DAST(Diethylamino)sulfur trifluoride78622BV6IJDTXSID20191484RefChem:133474DTXCID30113975253-771-2(Diethylamino)sulphur trifluoridediethylaminosulfurtrifluoridediethylaminosulphur trifluoride

Weitere Namen anzeigen

ET2NSF3Diethylamine sulfur trifluoride(N,N-diethylamino)sulfurtrifluorideamino)suLfur trifL(beta-4)-sulfu(T-4)-(N-ethyl

diethylaminosulphurtrifluorideN-ETHYL-N-(TRIFLUORO-LAMBDA4-SULFANYL)ETHANAMINEMFCD00000363C4H10F3NS(DIETHYLAMINO)TRIFLUOROSULFURSulfur, (N-ethylethanaminato)trifluoro-, (T-4)-diethyl(trifluoro-lambda4-sulfanyl)aminediethyl aminosulfurtrifluoride

Datenbank-Bezeichner

CAS: 38078-09-0
PubChem CID: 123472
DTXSID: DTXSID20191484
UNII: 78622BV6IJ
EC Number: 253-771-2
Nikkaji: J208.430I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,5
Polarare Oberfläche (TPSA): 4,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 2
Schwere Atome: 9
Formalladung: 0
Komplexität: 78,4

Experimentelle und physikochemische Eigenschaften

SpringerMaterials Properties19F nuclear magnetic resonance spectrum

Physikochemische Eigenschaften

Siedepunkt: 30 · 30-32 °C3 mm Hg(lit.)
Dichte: 1.22 g/mL · 1.22 g/mL at 25 °C(lit.)
Brechungsindex: 1.41 · 1.41-1.416
Flammpunkt: 75 °F · 75 °F
storage temp.: 2 · 2-8°C
Löslichkeit: Benzene, Chloroform (Slightly)
pka: -4.87 · -4.87±0.70(Predicted)
Aggregatzustand: liquid
Wichte: 1.22 · 1.220
Farbe: Colorless to Yellow to Orange
Wasserlöslichkeit: decomposes
Merck: 14 · 14,3113
BRN: 1849066 · 1849066
Stabilität: Reacts with Moisture in the Air, Reacts With Moisture In The Air, Unstable in So
InChI: 1S/C4H10F3NS/c1-3-8(4-2)9(5,6)7/h3-4H2,1-2H3
InChIKey: CSJLBAMHHLJAAS-UHFFFAOYSA-N
SMILES: CCN(CC)S(F)(F)F
CAS Datenbank: 38078 · 38078-09-0(CAS DataBase Reference)
NIST chemische Informationen: Diethylaminosulfur trifluoride(38078-09-0)

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, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 61 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

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

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

CSL Reaction Information · 6 Einträge

CSL00075

WATER + DIETHYLAMINOSULFUR TRIFLUORIDE

DAST alone at >90C explodes or in combination with water

Explosive

User-Reported

7/8/18

Sicherheitsdaten

F: 3-10-21
wgk: 3
ridadr: UN 2920 8/PG 1
hs_code: 29309070
risk_code: 10-14-20/21/22-34-5-35-40
hazard_code: C,T,F
hazard_note: Corrosive/Keep Cold
safety_code: 16-26-36/37/39-45
hazard_class: 8
packing_group: I
Speicherklasse: 5.2 - Organic peroxides and self-reacting hazardous materials
Hazard Classifications: Eye Dam. 1Flam. Liq. 3Self-react. DSkin Corr. 1A

Chemie und Industrie

Anwendungen

VerwendenDiethylaminosulfur Trifluoride is a very useful Nucleophilic fluorinating agent in chemical synthesis. It is also used as a reagent in the preparation of 2-thiazolines from (1,2)-thioam ido-alcohols.