Trifluoracetonitril

Trifluoroacetonitrile

HCID 67710CAS 353-85-5

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: N#CC(F)(F)F
InChIKey: SFFUEHODRAXXIA-UHFFFAOYSA-N
Summenformel: C2F3N
Durchschnittliche Molmasse: 95,02 g/mol
Monoisotopische Masse: 94,99828349

Namen und Bezeichner

Bevorzugter Name: Trifluoroacetonitrile
IUPAC: 2,2,2-trifluoroacetonitrile
Lokaler Name: Trifluoracetonitril
Englischer Name: Trifluoroacetonitrile
Summenformel: C2F3N
Molmasse: 95.02

Namen und Synonyme

TrifluoroacetonitrileCyanotrifluoromethaneAcetonitrile, trifluoro-Acetonitrile, 2,2,2-trifluoro-CF3CNEINECS 206-542-6DTXSID1059862Acetonitrile, trifluoroRefChem:191578Acetonitrile, 2,2,2trifluoroDTXCID8038988206-542-6

Weitere Namen anzeigen

TIFLUOROACETONITRILEperfluoroacetonitriletrifluoro-acetonitrilTrifluoromethyl cyanideacetonitrile,trifluoro-Trifluoroacetonitrile99%

SFFUEHODRAXXIA-UHFFFAOYSA-N353-85-52,2,2-trifluoroacetonitrileC2F3NMFCD00039478trifluoroethanenitriletrifluoroaceto-nitrileTrifluoroacetonitrile, 99%

Datenbank-Bezeichner

CAS: 353-85-5
PubChem CID: 67710
DTXSID: DTXSID1059862
EC Number: 206-542-6
Nikkaji: J102.044G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,1
Polarare Oberfläche (TPSA): 23,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 0
Schwere Atome: 6
Formalladung: 0
Komplexität: 82

Experimentelle und physikochemische Eigenschaften

Physical DescriptionLiquefied gas; [MSDSonline]

Kovats Retention Index246

Physikochemische Eigenschaften

Schmelzpunkt: -144.42 °C · -144.42°C
Siedepunkt: -64 °C · -64 °C
Dichte: 1.332 · 1.332±0.06 g/cm3(Predicted)
Spezifische Wärmekapazität: 0.82 J/ · Cp(gas): 0.82 J/(g·K), at 25℃
CAS Datenbank: 353 · 353-85-5(CAS DataBase Reference)
NIST chemische Informationen: Acetonitrile, trifluoro-(353-85-5)
EPA chemische Informationen: Acetonitrile, trifluoro- (353-85-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H280 (100%): Contains gas under pressure; may explode if heated [Warning Gases under pressure]；H330 (100%): Fatal if inhaled [Danger Acute toxicity, inhalation]

P260, P271, P284, P304+P340, P316, P320, P403+P233, P405, P410+P403, 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazards SummaryIn confined space spill, may displace air and act as simple asphyxiant; Evaporating liquid can cause frostbite; May cause irritation; Highly toxic by inhalation; [MSDSonline] See NITRILES.

Hazard Classes and CategoriesPress. Gas (Comp.) (100%)；Acute Tox. 2 (100%)

Toxikologische Informationen

Adverse EffectsOther Poison - Chemical Asphyxiant

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 1955 2.3
risk_code: 26
hazard_code: T+,T
hazard_note: Toxic
safety_code: 38
hazard_class: GAS, TOXIC

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationAcetonitrile, 2,2,2-trifluoro-: INACTIVE

Darstellung

synthetischeTrifluoroacetonitrile is prepared by dehydration reaction using trifluoroacetamide as raw material and polyphosphoric acid as solvent under the effect of phosphorus pentoxide dehydrating agent.