Phenyl triflimide

HCID 142176CAS 37595-74-7

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Grundinformationen

Standard-SMILES: O=S(=O)(N(c1ccccc1)S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIKey: DIOHEXPTUTVCNX-UHFFFAOYSA-N
Summenformel: C8H5F6NO4S2
Durchschnittliche Molmasse: 357,3 g/mol
Monoisotopische Masse: 356,95641896

Namen und Bezeichner

Bevorzugter Name: Phenyl triflimide
IUPAC: 1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide
Englischer Name: N-Phenyl-bis(trifluoromethanesulfonimide)
Summenformel: C8H5F6NO4S2
Molmasse: 357.25

Namen und Synonyme

37595-74-7N,N-Bis(trifluoromethylsulfonyl)anilinePhenyl triflimide1,1,1-Trifluoro-N-phenyl-N-((trifluoromethyl)sulfonyl)methanesulfonamideN-PhenyltrifluoromethanesulfonimideN,N-Bis(trifluoromethanesulfonyl)anilineTf2NPhN-Phenylbis(trifluoromethanesulphonimide)n-phenyltriflimide1,1,1-Trifluoro-N-phenyl-N-[(trifluoromethyl)sulfonyl]methanesulfonamideTIC0LRR43XNSC 240874

Weitere Namen anzeigen

PhNTf2N-PHENYLBIS(TRIFLUOROMETHANESULFONIMIDE)1,1,1-trifluoro-N-phenyl-N-trifluoromethanesulfonylmethanesulfonamidephenyltrifluoromethanesulfonimidetrifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamideN-PHENYLT

NSC-240874phenyl bis((trifluoromethyl)sulfonyl)aminePHENYL TRIFLIMIDE [MI]N-phenyltrifluoromethylsulfonimideDTXSID70191030EC 609-445-0n,n-bis(trifluoromethylsulfonyl)phenylamine1,1,1-Trifluoro-N-phenyl-N-((trifluoromethyl)sulfonyl)methane sulfonamide

Datenbank-Bezeichner

CAS: 37595-74-7
PubChem CID: 142176
DTXSID: DTXSID70191030
UNII: TIC0LRR43X
EC Number: 609-445-0
Nikkaji: J267.288J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,1
Polarare Oberfläche (TPSA): 88,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 11
Frei drehbare Bindungen: 3
Schwere Atome: 21
Formalladung: 0
Komplexität: 518

Experimentelle und physikochemische Eigenschaften

PFASPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008

Physikochemische Eigenschaften

Schmelzpunkt: 100 · 100-102 °C(lit.)
Siedepunkt: 305.3 · 305.3±52.0 °C(Predicted)
Dichte: 1.766 · 1.766±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Soluble in methanol. Slightly soluble in chloroform and ethyl acetate.
Aggregatzustand: Crystals or Crystalline Powder
pka: -13.12 · -13.12±0.50(Predicted)
Farbe: White or colorless
BRN: 1269141 · 1269141
Stabilität: Moisture Sensitive
InChI: InChI=1S/C8H5F6NO4S2/c9-7(10,11)20(16,17)15(6-4-2-1-3-5-6)21(18,19)8(12,13)14/h1-5H
InChIKey: DIOHEXPTUTVCNX-UHFFFAOYSA-N
SMILES: C(F)(F)(F)S(N(C1=CC=CC=C1)S(C(F)(F)F)(=O)=O)(=O)=O
CAS Datenbank: 37595 · 37595-74-7(CAS DataBase Reference)
NIST chemische Informationen: N-phenyltrifluoromethanesulfonimide(37595-74-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 55 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 17-05-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/16472

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

F: 21
wgk: 3
tsca: No
hs_code: 29242100
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

BeschreibungN-Phenylbis(trifluoromethanesulfonimide) acts as a mild triflating reagent as well as a transparent strong electron-withdrawing p-type dopant in carbon nanotubes. It is also employed as a reactant for the preparation of amphoteric alfa-boryl aldehydes. It plays an important role in the enantioselective synthesis of the core ring skeleton of leucosceptroids A-D and in steroselective sulfoxidation.