Grundinformationen
- Standard-SMILES
O=C(OC(=O)C(F)(F)F)C(F)(F)F- InChIKey
QAEDZJGFFMLHHQ-UHFFFAOYSA-N- Summenformel
- C4F6O3
- Durchschnittliche Molmasse
- 210,03 g/mol
- Monoisotopische Masse
- 209,97516318
Namen und Bezeichner
- Bevorzugter Name
- Trifluoroacetic anhydride
- IUPAC
- (2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
- Lokaler Name
- Trifluoressigsäure-anhydrid
- Englischer Name
- Trifluoroacetic anhydride
- Summenformel
- C4F6O3
- Molmasse
- 210.03
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
407-25-0- PubChem CID
- 9845
- DTXSID
DTXSID90861920- UNII
- 5ENA87IZHT
- EC Number
- 206-982-9
- Nikkaji
- J5.723A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,1
- Polarare Oberfläche (TPSA)
- 43,4 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 9
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 201
Experimentelle und physikochemische Eigenschaften
PFAS
PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008
PFAS -> Suspected persistent, mobile, toxic (PMT) PFAS or PFAS-like compounds
Physical Description
Liquid
Colorless liquid; [MSDSonline]
Physikochemische Eigenschaften
- Schmelzpunkt
- -65 °C · -65 °C (lit.)
- Siedepunkt
- 39.5 · 39.5-40 °C (lit.)
- Dichte
- 1.511 g/mL · 1.511 g/mL at 20 °C (lit.)
- Dampfdruck
- 6.28 psi · 6.28 psi ( 20 °C)
- Brechungsindex
- 20 · n20/D 1.3(lit.)
- Flammpunkt
- -26 °C · -26 °C
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Miscible with benzene, dichloromethane, diethyl ether, dimethylformamide, terahydrofuran and acetonitrile.
- Aggregatzustand
- Liquid
- pka
- 0.43 · 0.43[at 20 ℃]
- Wichte
- 1.487 · 1.487
- Farbe
- Clear
- Wasserlöslichkeit
- Hydrolysis
- BRN
- 746197 · 746197
- Stabilität
- Stable, but moisture sensitive. Reacts with water to liberate hydrogen (flammable!). Incompatible with water, strong oxidizing agents.
- InChI
- 1S/C4F6O3/c5-3(6,7)1(11)13-2(12)4(8,9)10
- InChIKey
- QAEDZJGFFMLHHQ-UHFFFAOYSA-N
- SMILES
- FC(F)(F)C(=O)OC(=O)C(F)(F)F
- LogP
- 0.79 at · 0.79 at 25℃
- CAS Datenbank
- 407 · 407-25-0(CAS DataBase Reference)
- NIST chemische Informationen
- Acetic acid, trifluoro-, anhydride(407-25-0)
- EPA chemische Informationen
- Acetic acid, trifluoro-, anhydride (407-25-0)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P203, P260, P261, P264, P264+P265, P271, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 114 reports by companies from 21 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Acetic acid, trifluoro-, anhydride
Acetic acid, 2,2,2-trifluoro-, 1,1'-anhydride is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Acetic acid, 2,2,2-trifluoro-, 1,1'-anhydride are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 29-04-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/10848
Trifluoroacetic anhydride: HSNO Approval: HSR004742 Approved with controls
Sicherheit und Schutzausrüstung
Protective Action Criteria (PAC)
0.60 [mg/m3]
6.6 [mg/m3]
40 [mg/m3]
Toxikologische Informationen
Sicherheitsdaten
- F
- 3-10
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 3265 8/PG 1
- hs_code
- 29159080
- RTECS-Nr.
- AJ9800000
- risk_code
- 14-20-35-52/53-34-23/24/25
- Toxizität
- skn-rbt 500 mg/24H SEV 28ZPAK -,91,72
- hazard_code
- C,T
- hazard_note
- Corrosive/Moisture Sensitive
- safety_code
- 26-36/37/39-43-45-61-9-8-28A-27
- hazard_class
- 8
- packing_group
- I
- Speicherklasse
- 8B - Non-combustible corrosive hazardous materials
- Hazard Classifications
- Acute Tox. 4 InhalationAquatic Chronic 3Eye Dam. 1Skin Corr. 1A
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information
Miscellaneous Manufacturing
Acetic acid, 2,2,2-trifluoro-, 1,1'-anhydride: ACTIVE
Anwendungen
VerwendenTrifluoroacetic anhydride is used for the introduction of trifluoroacetyl group in organic synthesis. It is involved in the preparation of N- and O-trifluoroacetyl derivatives of a wide range of biologically active compounds for gas chromatography analysis. It plays an important role as desiccant for trifluoroacetic acid. It is also used in the oxidation of aldehydes to acids, esters, amides as well as in the protection of alcohols and amines. In addition, it is used as analytical reagents, solvents and dehydration condensing agent. It serves as an intermediate of fluorine fine chemicals, pharmaceuticals and agrochemicals.
Darstellung
synthetischeTrifluoroacetic anhydride is prepared by reaction of trifluoroacetyl chloride with an alkali metal or alkaline-earth metal salt of trifluoroacetic acid at approximately 50° C.
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