Perfluoracetylfluorid

Trifluoroacetyl fluoride

HCID 67716CAS 354-34-7

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Grundinformationen

Standard-SMILES: O=C(F)C(F)(F)F
InChIKey: DCEPGADSNJKOJK-UHFFFAOYSA-N
Summenformel: C2F4O
Durchschnittliche Molmasse: 116,01 g/mol
Monoisotopische Masse: 115,98852727

Namen und Bezeichner

Bevorzugter Name: Trifluoroacetyl fluoride
IUPAC: 2,2,2-trifluoroacetyl fluoride
Lokaler Name: Perfluoracetylfluorid
Englischer Name: Perfluoroacetyl fluoride
Summenformel: C2F4O
Molmasse: 116.01

Namen und Synonyme

Trifluoroacetyl fluoride354-34-7Acetyl fluoride, trifluoro-EINECS 206-558-3DTXSID6059867RefChem:191580DTXCID50390102,2,2-trifluoroacetyl fluoridePerfluoroacetyl fluorideAcetyl fluoride, 2,2,2-trifluoro-MFCD00042075C2F4O

Weitere Namen anzeigen

trifluoro-acetylfluoridTrifluoroacetylfluoride95%Trifluoromethylfluoro ketoneTrifluoroacetic acid fluoride1,2,2,2-Tetrafluoroethane-1-one

Acetyl fluoride,2,2,2-trifluoro-trifluoroacetylfluorideCF3COFSCHEMBL24543Sodium monofluoroacetate 99%AKOS006230598NS00041674

Datenbank-Bezeichner

CAS: 354-34-7
PubChem CID: 67716
DTXSID: DTXSID6059867
EC Number: 206-558-3
Nikkaji: J26.717A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,4
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 0
Schwere Atome: 7
Formalladung: 0
Komplexität: 82

Physikochemische Eigenschaften

Schmelzpunkt: -159.46 °C · -159.46°C
Siedepunkt: -59 °C · -59°C
Dichte: 1.44 · 1.440±0.06 g/cm3(Predicted)
Henry's Law Constant: 3 · 3.0×10-2 mol/(m3Pa) at 25℃, Mirabel et al. (1996)
InChI: InChI=1S/C2F4O/c3-1(7)2(4,5)6
InChIKey: DCEPGADSNJKOJK-UHFFFAOYSA-N
SMILES: C(F)(C(F)(F)F)=O
NIST chemische Informationen: 3 CFO · CF3CFO(354-34-7)
EPA chemische Informationen: Acetyl fluoride, trifluoro- (354-34-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H280 (100%): Contains gas under pressure; may explode if heated [Warning Gases under pressure]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H330 (100%): Fatal if inhaled [Danger Acute toxicity, inhalation]；H370 (100%): Causes damage to organs [Danger Specific target organ toxicity, single exposure]；H372 (100%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]

P260, P264, P264+P265, P270, P271, P280, P284, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P308+P316, P316, P317, P319, P320, P321, P363, P403+P233, P405, P410+P403, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.