2,2,2-Trifluor-N-(hydroxymethyl)acetamid

2,2,2-Trifluoro-N-(hydroxymethyl)acetamide

HCID 3084931CAS 50667-69-1

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: O=C(NCO)C(F)(F)F
InChIKey: URUWXKFAEKTWKG-UHFFFAOYSA-N
Summenformel: C3H4F3NO2
Durchschnittliche Molmasse: 143,06 g/mol
Monoisotopische Masse: 143,01941303

Überblick

N-(hydroxymethyl)trifluoroacetamide is a carboximidic acid.

Namen und Bezeichner

Bevorzugter Name: 2,2,2-Trifluoro-N-(hydroxymethyl)acetamide
IUPAC: 2,2,2-trifluoro-N-(hydroxymethyl)acetamide
Lokaler Name: 2,2,2-Trifluor-N-(hydroxymethyl)acetamid
Englischer Name: N-(Hydroxymethyl)trifluoroacetamide
Summenformel: C3H4F3NO2
Molmasse: 143.06

Namen und Synonyme

50667-69-12,2,2-Trifluoro-N-(hydroxymethyl)acetamideEINECS 256-698-4DTXSID90198703RefChem:440503DTXCID10121194256-698-4N-(HYDROXYMETHYL)TRIFLUOROACETAMIDEAcetamide, 2,2,2-trifluoro-N-(hydroxymethyl)-MFCD00014416N-HydroxymethyltrifluoroacetamideN-(Hydroxymethyl)-2,2,2-trifluoroacetamide

Weitere Namen anzeigen

TrifluoroacetamidomethanolN-(HYDROXYMETHYL)TRIFLUOROACETA2,2,2-Trifluoro-N-(hydroxymethyl)N-(Hydroxymethyl)trifluoroacetamide, 98+%N-(Hydroxymethyl)-2,2,2-trifluoroacetamide, (Trifluoroacetamido)methanol

SCHEMBL865925SCHEMBL865926N-Hydroxymethyl fluoroacetamideF49GM8FQ29N-hydroxymethyl trifluoroacetamideCHEBI:192837N-(hydroxymethyl)-trifluoroacetamideN-hydroxy methyl trifluoro acetamide

Datenbank-Bezeichner

CAS: 50667-69-1
PubChem CID: 3084931
DTXSID: DTXSID90198703
ChEBI: CHEBI:192837
UNII: F49GM8FQ29
EC Number: 256-698-4
Nikkaji: J261.587H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,1
Polarare Oberfläche (TPSA): 49,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 110

Physikochemische Eigenschaften

Schmelzpunkt: 102 · 102-103°C
Siedepunkt: 237 ℃ · 237℃
Dichte: 1.461 · 1.461
Flammpunkt: 97 ℃ · 97℃
storage temp.: 2 · 2-8°C
Aggregatzustand: solid
pka: 9.79 · 9.79±0.46(Predicted)
Farbe: White to off-white
BRN: 1859914 · 1859914
InChI: InChI=1S/C3H4F3NO2/c4-3(5,6)2(9)7-1-8/h8H,1H2,(H,7,9)
InChIKey: URUWXKFAEKTWKG-UHFFFAOYSA-N
SMILES: C(NCO)(=O)C(F)(F)F

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

hs_code: 2924190090
risk_code: 36/37/38
safety_code: 26-36

Chemie und Industrie

Anwendungen

Verwenden2,2,2-Trifluoro-N-(hydroxymethyl)acetamide is used in a process for the preparation of chlorooxotrifluoromethylphenyldihydrotriazolylbenzylpivalamide polymorphs for use as mPGES-1 inhibitors.