Grundinformationen
- Standard-SMILES
O=C([O-])C(F)(F)F.[Na+]- InChIKey
UYCAUPASBSROMS-UHFFFAOYSA-M- Summenformel
- C2F3NaO2
- Durchschnittliche Molmasse
- 136 g/mol
- Monoisotopische Masse
- 135,97480818
Namen und Bezeichner
- Bevorzugter Name
- Sodium Trifluoroacetate
- IUPAC
- sodium 2,2,2-trifluoroacetate
- Lokaler Name
- Natriumtrifluoracetat
- Englischer Name
- Sodium trifluoroacetate
- Summenformel
- C2F3NaO2
- Molmasse
- 136.01
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
2923-18-4- PubChem CID
- 517019
- DTXSID
DTXSID0062715- ChEMBL
CHEMBL559917- UNII
- 255JUV5YVI
- EC Number
- 220-879-6
- Nikkaji
- J22.490A
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 40,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 87,8
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 205 · 205-207 °C (dec.) (lit.)
- Dichte
- 1.49 g/mL · 1.49 g/mL (lit.)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Löslichkeit
- 2 O: · H2O: 1 M at 20 °C, clear, colorless
- Aggregatzustand
- Crystalline Powder
- Wichte
- 1.49 · 1.49
- Farbe
- White
- PH
- 7 · 7 (H2O, 20℃)
- Wasserlöslichkeit
- 625 g/L · 625 g/L (25 ºC)
- BRN
- 3597949 · 3597949
- Stabilität
- Hygroscopic
- Major Application
- USP Biologicspharmaceutical (small molecule)
- InChI
- 1S/C2HF3O2.Na/c3-2(4,5)1(6)7;/h(H,6,7);/q;+1/p-1
- InChIKey
- UYCAUPASBSROMS-UHFFFAOYSA-M
- SMILES
- [Na+].[O-]C(=O)C(F)(F)F
- LogP
- 1.238 · 1.238 (est)
- CAS Datenbank
- 2923 · 2923-18-4(CAS DataBase Reference)
- EPA chemische Informationen
- Acetic acid, trifluoro-, sodium salt (2923-18-4)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 1.3% (1 of 76) of reports.
Danger
H300 (88.2%): Fatal if swallowed [Danger Acute toxicity, oral]
P264, P270, P273, P301+P316, P321, P330, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 76 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Sicherheitsdaten
- F
- 3-10
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- 2811
- hs_code
- 29159080
- RTECS-Nr.
- AK0250000
- risk_code
- 36/37/38
- hazard_code
- Xi
- hazard_note
- Irritant/Hygroscopic
- safety_code
- 26-36-37/39
- hazard_class
- 6.1
- packing_group
- II
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Aquatic Chronic 2
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
VerwendenSodium trifluoroacetate is used in acid catalyzed reactions. It is also used as an intermediate for active pharmaceutical ingredients (API). Further, it acts as a precursor for the trifluoromethylation of aldehydes using copper(I) halide as a catalyst.
Darstellung
synthetischeIt can be obtained by reacting trifluoroacetic acid with sodium carbonate or sodium hydroxide.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Anbieter50 Anbieter
Zugehörige Reaktionen
Verknüpfte Notizen
Wird geladen…