2,2,2-trifluoro-N-(prop-2-yn-1-yl)acetamide

HCID 11094805

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Grundinformationen

CAS: 14719-21-2
Standard-SMILES: C#CCNC(=O)C(F)(F)F
InChIKey: GAUSMJHDHCSZOX-UHFFFAOYSA-N
Summenformel: C5H4F3NO
Durchschnittliche Molmasse: 151,09 g/mol
Monoisotopische Masse: 151,02449841

Namen und Bezeichner

Bevorzugter Name: 2,2,2-trifluoro-N-(prop-2-yn-1-yl)acetamide
IUPAC: 2,2,2-trifluoro-N-prop-2-ynylacetamide
Englischer Name: AcetaMide, 2,2,2-trifluoro-N-2-propynyl-
Summenformel: C5H4F3NO
Molmasse: 151.09

Namen und Synonyme

2,2,2-Trifluoro-N-(prop-2-yn-1-yl)acetamideRefChem:440505835-806-914719-21-2N-TrifluoroacetylpropargylamineN-PROPARGYLTRIFLUOROACETAMIDE2,2,2-trifluoro-n-prop-2-ynylacetamideMFCD146383702,2,2-Trifluoro-N-2-propyn-1-ylacetamide2,2,2-Trifluoro-N-2-propynylacetamide2,2,2-trifluoro-N-prop-2-ynyl-acetamideAcetamide, 2,2,2-trifluoro-N-2-propynyl-

Weitere Namen anzeigen

2,2,2-Trifluoro-N-(2-propynyl)acetamide2,2,2-Trifluoro-N-2-propyn-1-yl-acetamideAcetamide, 2,2,2-trifluoro-N-2-propyn-1-yl-2,2,2-trifluoro-N - (propyl-2-yne-1-yl) acetamide

propargyltrifluoroacetamide3-trifluoroacetamidopropyneSCHEMBL686092,2,2-trifluoro-N-(prop-2-ynyl)acetamidePropargylamine, N-trifluoroacetyl-AKOS010597615DS-9045P2603

Datenbank-Bezeichner

CAS: 14719-21-2
PubChem CID: 11094805
DTXSID: DTXSID60454924
EC Number: 835-806-9
Nikkaji: J1.113.974D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,8
Polarare Oberfläche (TPSA): 29,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 175

Physikochemische Eigenschaften

Siedepunkt: 172.6 · 172.6±40.0 °C(Predicted)
Dichte: 1.289 · 1.289±0.06 g/cm3(Predicted)
Brechungsindex: 1.39 · 1.39
Flammpunkt: 58 ° · 58°
storage temp.: 2 · 2-8°C
Löslichkeit: Chloroform, Methanol (Slightly)
Aggregatzustand: Oil
pka: 9.74 · 9.74±0.46(Predicted)
Farbe: Colourless to Light Yellow

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Sicherheitsdaten

ridadr: 1993
hs_code: 2924297099
hazard_class: 3
packing_group: Ⅱ

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenN-Trifluoroacetylpropargylamine is an intermediate in the synthesis of the constituents of Texas Red-5-dUTP (T320100), a fluorescence-labelled nucleotide analog. Texas Red-5-dUTP is used diagnostically for detection of rearranged SS18 in formalin-fixed, paraffin-embedded synovial sarcoma.