4-Chloro-6-ethyl-5-fluoropyrimidine
Grundinformationen
- CAS
137234-74-3- Standard-SMILES
CCc1ncnc(Cl)c1F- InChIKey
LKTGVRWVTAJGMS-UHFFFAOYSA-N- Summenformel
- C6H6ClFN2
- Durchschnittliche Molmasse
- 160,58 g/mol
- Monoisotopische Masse
- 160,02035409
Namen und Bezeichner
- Bevorzugter Name
- 4-Chloro-6-ethyl-5-fluoropyrimidine
- IUPAC
- 4-chloro-6-ethyl-5-fluoropyrimidine
- Englischer Name
- 4-Chloro-6-ethyl-5-fluoropyrimidine
- Summenformel
- C6H6ClFN2
- Molmasse
- 160.58
Namen und Synonyme
4-Chloro-6-ethyl-5-fluoropyrimidine137234-74-3DTXSID30587753EC 604-010-1RefChem:98483DTXCID20538517604-010-1PYRIMIDINE, 4-CHLORO-6-ETHYL-5-FLUORO-MFCD077820874-Chloro-6-ethyl-5-fluoro-pyrimidineSCHEMBL372414CS-B1291
Weitere Namen anzeigen
4-Chloro-6-ethyl-5-fluoropyrimidinVoriconazole Impurity 264-chloro-6-ethyl-5-fluorouracil4-chloro-6-ethyl-5-fluoropyiMidine4-chloro-6-ethyl-5-flouropyrimidine4-Chloro-5-fluoro-6-ethylpyriMidine4-Chloro-6-ethyl-5-fluoropyrimidine,95%6-CHLORO-4-ETHYL-5-FLUORO-1,6-DIHYDROPYRIMIDINE
Voriconazole Impurity 16BCP04247N88Y96VTY24-chloro-6-ethyl-5-fluoro pyriAKOS005063655AC-4747PB10473AS-15052
Datenbank-Bezeichner
- CAS
137234-74-3- PubChem CID
- 16743445
- DTXSID
DTXSID30587753- UNII
- N88Y96VTY2
- EC Number
- 604-010-1
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,1
- Polarare Oberfläche (TPSA)
- 25,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 112
Physikochemische Eigenschaften
- Siedepunkt
- 211 °C · 211°C
- Dichte
- 1.286 · 1.286
- Flammpunkt
- 81 °C · 81°C
- Brechungsindex
- 1.496 · 1.496
- storage temp.
- 2 · Inert atmosphere,2-8°C
- Löslichkeit
- Chloroform, Ethyl Acetate
- pka
- -0.45 · -0.45±0.26(Predicted)
- Aggregatzustand
- Oil
- Farbe
- Clear Colourless to Pale Yellow
- InChI
- InChI=1S/C6H6ClFN2/c1-2-4-5(8)6(7)10-3-9-4/h3H,2H2,1H3
- InChIKey
- LKTGVRWVTAJGMS-UHFFFAOYSA-N
- SMILES
- C1=NC(CC)=C(F)C(Cl)=N1
- CAS Datenbank
- 137234 · 137234-74-3(CAS DataBase Reference)
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, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 31 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationStatus: Active Update: 28-04-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/17260
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- ridadr
- UN3267
- hs_code
- 2933599590
- risk_code
- 20/21/22-36/37/38-41
- safety_code
- 22-36/37/39-45-39-26
- hazard_class
- 8
Chemie und Industrie
Anwendungen
Verwenden4-Chloro-6-ethyl-5-fluoropyrimidine is a pyrimidine derivative used as a building block in the preparation of bio-active compounds such as broad-spectrum triazole antifungal agents.
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