2,2,2-Trifluor-N-phenylacetamid

2,2,2-Trifluoro-N-phenylacetamide

HCID 67881CAS 404-24-0

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Grundinformationen

Standard-SMILES: O=C(Nc1ccccc1)C(F)(F)F
InChIKey: SAPQIENQEZURNZ-UHFFFAOYSA-N
Summenformel: C8H6F3NO
Durchschnittliche Molmasse: 189,13 g/mol
Monoisotopische Masse: 189,04014847

Namen und Bezeichner

Bevorzugter Name: 2,2,2-Trifluoro-N-phenylacetamide
IUPAC: 2,2,2-trifluoro-N-phenylacetamide
Lokaler Name: 2,2,2-Trifluor-N-phenylacetamid
Englischer Name: 2,2,2-Trifluoro-N-phenylacetamide
Summenformel: C8H6F3NO
Molmasse: 189.13

Namen und Synonyme

2,2,2-Trifluoro-N-phenylacetamide404-24-0Trifluoroacetanilide2,2,2-TrifluoroacetanilideAcetanilide, 2,2,2-trifluoro-Acetamide, 2,2,2-trifluoro-N-phenyl-NSC-9474alpha,alpha,alpha-TrifluoroacetanilideDTXSID3019339875VUZ1674Itrifluoro-acetanilideRefChem:191577

Weitere Namen anzeigen

rifluoroacetanilideTrifluroracetanilideN-Trifluoroacetylaniline,97%N-trifluoroethylacylbenzeneamineN-Phenyl-2,2,2-trifluoroacetamide

DTXCID40115889206-965-6N-Phenyltrifluoroacetamide2,2,2-trifluoro-N-phenyl-acetamideMFCD00196027n-trifluoroacetylanilineNSC9474HMS1474P07

Datenbank-Bezeichner

CAS: 404-24-0
PubChem CID: 67881
DTXSID: DTXSID30193398
UNII: 75VUZ1674I
EC Number: 206-965-6
Nikkaji: J103.832J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,2
Polarare Oberfläche (TPSA): 29,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 184

Experimentelle und physikochemische Eigenschaften

LogP2.21

Physikochemische Eigenschaften

Schmelzpunkt: 86 · 86-90 °C
Siedepunkt: 220 · 220-225 °C
Dichte: 1.3305 · 1.3305 (estimate)
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: powder to crystal
pka: 10.05 · 10.05±0.70(Predicted)
Farbe: White to Orange to Green
InChI: InChI=1S/C8H6F3NO/c9-8(10,11)7(13)12-6-4-2-1-3-5-6/h1-5H,(H,12,13)
InChIKey: SAPQIENQEZURNZ-UHFFFAOYSA-N
SMILES: C(NC1=CC=CC=C1)(=O)C(F)(F)F
CAS Datenbank: 404 · 404-24-0(CAS DataBase Reference)
NIST chemische Informationen: 2 · Acetamide, 2,2,2-trifluoro-N-phenyl-(404-24-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.