Grundinformationen
- Standard-SMILES
O=S(=O)([O-])C(F)(F)F.c1ccc([NH2+]c2ccccc2)cc1- InChIKey
MGEGQAUINMTPGX-UHFFFAOYSA-N- Summenformel
- C13H12F3NO3S
- Durchschnittliche Molmasse
- 319,3 g/mol
- Monoisotopische Masse
- 319,0489989
Namen und Bezeichner
- Bevorzugter Name
- Diphenylammonium Trifluoromethanesulfonate
- IUPAC
- diphenylazanium;trifluoromethanesulfonate
- Englischer Name
- Diphenylammonium Trifluoromethanesulfonate
- Summenformel
- C13H12F3NO3S
- Molmasse
- 319.3
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
164411-06-7- PubChem CID
- 11209371
- DTXSID
DTXSID00458885- EC Number
- 679-776-3
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 82,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 21
- Formalladung
- 0
- Komplexität
- 261
Physikochemische Eigenschaften
- Schmelzpunkt
- 169 · 169-170 ºC
- storage temp.
- 2 · 2-8°C
- Aggregatzustand
- powder to crystal
- Farbe
- White to Almost white
- InChI
- InChI=1S/C12H11N.CHF3O3S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2-1(3,4)8(5,6)7/h1-10,13H;(H,5,6,7)
- InChIKey
- MGEGQAUINMTPGX-UHFFFAOYSA-N
- SMILES
- S(=O)(O)(=O)C(F)(F)F.C1=CC=C(NC2C=CC=CC=2)C=C1
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29214990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
VerwendenEfficient catalyst for greener synthesis of esters by condensation of carboxylic acids with alcohols or transfesterification.Diphenylammonium triflate (DPAT): efficient catalyst for esterification of carboxylic acids and for transesterification of carboxylic esters with nearly equimolar amounts of alcohols
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