N-Methyl-2,2,2-trifluoracetamid

Acetamide, 2,2,2-trifluoro-N-methyl-

HCID 69948CAS 815-06-5

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Grundinformationen

Standard-SMILES: CNC(=O)C(F)(F)F
InChIKey: IQNHBUQSOSYAJU-UHFFFAOYSA-N
Summenformel: C3H4F3NO
Durchschnittliche Molmasse: 127,07 g/mol
Monoisotopische Masse: 127,02449824

Namen und Bezeichner

Bevorzugter Name: Acetamide, 2,2,2-trifluoro-N-methyl-
IUPAC: 2,2,2-trifluoro-N-methylacetamide
Lokaler Name: N-Methyl-2,2,2-trifluoracetamid
Englischer Name: N-Methyl-2,2,2-trifluoroacetamide
Summenformel: C3H4F3NO
Molmasse: 127.07

Namen und Synonyme

815-06-5N-MethyltrifluoroacetamideAcetamide, 2,2,2-trifluoro-N-methyl-EINECS 212-417-7DTXSID6061153RefChem:108795DTXCID9048221IQNHBUQSOSYAJU-UHFFFAOYSA-NN-Methyl-2,2,2-trifluoroacetamide2,2,2-Trifluoro-N-methylacetamideMFCD000096702,2,2-trifluoro-N-methyl-acetamide

Weitere Namen anzeigen

TIMTEC-BB SBB008211N-Methyl-2,2,2-triflN-Methyltrifluoroacetamide>N-Methyltrifluoroacetamide 98%N-Methyltrifluoroacetamide,98%2,2,2-trifluoro-n-methyl-acetamid

2,2,2-Trifluoro-N-methylacetamide;methyltrifluoroacetamideN-methyl-trifluoroacetamideN-methyltrifluoro-acetamideSCHEMBL312534SCHEMBL1771727SCHEMBL3952285N-Methyltrifluoroacetamide, 98%

Datenbank-Bezeichner

CAS: 815-06-5
PubChem CID: 69948
DTXSID: DTXSID6061153
EC Number: 212-417-7
Nikkaji: J108.776B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,7
Polarare Oberfläche (TPSA): 29,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 97

Physikochemische Eigenschaften

Schmelzpunkt: 49 · 49-51 °C(lit.)
Siedepunkt: 156 · 156-157 °C(lit.)
Dichte: 1.3215 · 1.3215 (estimate)
Flammpunkt: 165 °F · 165 °F
storage temp.: Inert atmosphere,Room Temperature
pka: 11.54 · 11.54±0.46(Predicted)
Aggregatzustand: powder to crystal
Farbe: White to Almost white
BRN: 1703392 · 1703392
InChI: InChI=1S/C3H4F3NO/c1-7-2(8)3(4,5)6/h1H3,(H,7,8)
InChIKey: IQNHBUQSOSYAJU-UHFFFAOYSA-N
SMILES: C(NC)(=O)C(F)(F)F
CAS Datenbank: 815 · 815-06-5(CAS DataBase Reference)
NIST chemische Informationen: 2 · Acetamide, 2,2,2-trifluoro-N-methyl-(815-06-5)
EPA chemische Informationen: 2 · Acetamide, 2,2,2-trifluoro-N-methyl- (815-06-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 47 reports by companies from 6 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.