Sulfur, trifluoro(N-methylmethanaminato)-

HCID 123203CAS 3880-03-3

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Grundinformationen

Standard-SMILES: CN(C)S(F)(F)F
InChIKey: SAVQQRYWWAGSQW-UHFFFAOYSA-N
Summenformel: C2H6F3NS
Durchschnittliche Molmasse: 133,14 g/mol
Monoisotopische Masse: 133,01730485

Namen und Bezeichner

Bevorzugter Name: Sulfur, trifluoro(N-methylmethanaminato)-
IUPAC: N-methyl-N-(trifluoro-λ4-sulfanyl)methanamine
Englischer Name: DIMETHYLAMINOSULFUR TRIFLUORIDE
Summenformel: C2H6F3NS
Molmasse: 133.14

Namen und Synonyme

3880-03-3(Dimethylamino)sulfur trifluorideSulfur, trifluoro(N-methylmethanaminato)-DTXSID30192068Trifluoro(N-methylmethanaminato)sulfurRefChem:889728DTXCID40114559627-719-8Dimethylaminosulfur trifluorideMethyl DASTN-methyl-N-(trifluoro-lambda4-sulfanyl)methanamineC2H6F3NS

Weitere Namen anzeigen

DIMETHYLAMINOSULPHUR TRIFLUORIDEDimethylaminosulphurtrifluoride97%Dimethylaminosulphur trifluoride 97%Dimethylaminosulfur trifluorideMethyl DASTSulfur, trifluoro(N-methylmethanaminato)-, (T-4)-N-methyl-N-(trifluoro-$l^{4}-sulfanyl)methanamine

SCHEMBL64578Dimethylamino sulfur trifluoride(dimethylamino)-sulfur trifluoride(Dimethylamino)trifluorosulfur(IV)MFCD00009900SBB085832(N,N-Dimethylamino)sulfur trifluorideAKOS015894993

Datenbank-Bezeichner

CAS: 3880-03-3
PubChem CID: 123203
DTXSID: DTXSID30192068
EC Number: 627-719-8
Nikkaji: J657.486F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,8
Polarare Oberfläche (TPSA): 4,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 0
Schwere Atome: 7
Formalladung: 0
Komplexität: 58,4

Experimentelle und physikochemische Eigenschaften

SpringerMaterials Properties19F nuclear magnetic resonance spectrum

Physikochemische Eigenschaften

Schmelzpunkt: -78.7 °C · -78.7 °C (lit.)
Siedepunkt: 117.5 °C · 117.5 °C (lit.)
Dichte: 1.364 g/mL · 1.364 g/mL at 25 °C (lit.)
Flammpunkt: 50 °F · 50 °F
storage temp.: 2 · 2-8°C
Aggregatzustand: liquid
pka: -5.36 · -5.36±0.70(Predicted)
BRN: 1901089 · 1901089
InChI: 1S/C2H6F3NS/c1-6(2)7(3,4)5/h1-2H3
InChIKey: SAVQQRYWWAGSQW-UHFFFAOYSA-N
SMILES: CN(C)S(F)(F)F

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Sicherheitsdaten

F: 4.6
wgk: 3
ridadr: UN 2920 8/PG 1
hs_code: 29309099
risk_code: 11-20/21/22-35
hazard_code: F,C
hazard_note: Corrosive
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: II
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Dam. 1Flam. Liq. 2Skin Corr. 1A

Chemie und Industrie

Anwendungen

VerwendenFluorinating Agent used in the fluorination of compounds such asAlchols, aldehydes and ketonesFluorinated Podophyllotoxin derivativesProtected glycosyl fluorides from thioglycosides