Ethyl 2-(trifluoromethyl)pyrimidine-5-carboxylate
Grundinformationen
- CAS
304693-64-9- Standard-SMILES
CCOC(=O)c1cnc(C(F)(F)F)nc1- InChIKey
LRUCUGOOQHJEQP-UHFFFAOYSA-N- Summenformel
- C8H7F3N2O2
- Durchschnittliche Molmasse
- 220,15 g/mol
- Monoisotopische Masse
- 220,04596196
Namen und Bezeichner
- Bevorzugter Name
- Ethyl 2-(trifluoromethyl)pyrimidine-5-carboxylate
- IUPAC
- ethyl 2-(trifluoromethyl)pyrimidine-5-carboxylate
- Englischer Name
- Ethyl 2-(trifluoromethyl)pyrimidine-5-carboxylate
- Summenformel
- C8H7F3N2O2
- Molmasse
- 220.15
Namen und Synonyme
ethyl 2-(trifluoromethyl)pyrimidine-5-carboxylate304693-64-9DTXSID00620348RefChem:342551DTXCID80571102640-777-9MFCD097540485-Pyrimidinecarboxylic acid, 2-(trifluoromethyl)-, ethyl esterethyl 2-trifluoromethylpyrimidine-5-carboxylateEthyl 2-(trifluoromethyl)SCHEMBL346837AKOS005146370
Weitere Namen anzeigen
5-(Ethoxycarbonyl)-2-(trifluoromethyl)pyrimidineEthyl?2-(trifluoromethyl)pyrimidine-5-carboxylate CAS：304693-64-9ETHYL 2-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBOXYLATE ISO 9001：2015 REACH
AB51523SS-5108SY027425DB-001023CS-0042048ethyl 2-trifluoromethyl-pyrimidine-5-carboxylateethyl2-(trifluoromethyl)pyrimidine-5-carboxylateEthyl 2-(trifluoromethyl)-5-pyrimidinecarboxylate
Datenbank-Bezeichner
- CAS
304693-64-9- PubChem CID
- 21936133
- DTXSID
DTXSID00620348- EC Number
- 640-777-9
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,4
- Polarare Oberfläche (TPSA)
- 52,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 224
Physikochemische Eigenschaften
- Schmelzpunkt
- 65 °C · 65 °C
- Siedepunkt
- 194 ℃ · 194℃
- Dichte
- 1.344 · 1.344
- Flammpunkt
- 71 ℃ · 71℃
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Aggregatzustand
- powder
- pka
- -3.5 · -3.50±0.22(Predicted)
- Farbe
- Yellow
- InChI
- InChI=1S/C8H7F3N2O2/c1-2-15-6(14)5-3-12-7(13-4-5)8(9,10)11/h3-4H,2H2,1H3
- InChIKey
- LRUCUGOOQHJEQP-UHFFFAOYSA-N
- SMILES
- C1(C(F)(F)F)=NC=C(C(OCC)=O)C=N1
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
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.
Sicherheitsdaten
- hs_code
- 2933599590
Chemie und Industrie
Anwendungen
VerwendenEthyl 2-(Trifluoromethyl)pyrimidine-5-carboxylate is used to prepare NF-κB and AP-1 gene inhibitors.
Vor- und nachgelagerte Produkte
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