2,4-Dichloro-6-(trifluoromethyl)pyrimidine
Grundinformationen
- CAS
16097-64-6- Standard-SMILES
FC(F)(F)c1cc(Cl)nc(Cl)n1- InChIKey
ZTNFYAJHLPMNSN-UHFFFAOYSA-N- Summenformel
- C5HCl2F3N2
- Durchschnittliche Molmasse
- 216,97 g/mol
- Monoisotopische Masse
- 215,9468879
Namen und Bezeichner
- Bevorzugter Name
- 2,4-Dichloro-6-(trifluoromethyl)pyrimidine
- IUPAC
- 2,4-dichloro-6-(trifluoromethyl)pyrimidine
- Englischer Name
- 2,4-dichloro-6-(trifluoromethyl)pyrimidine
- Summenformel
- C5HCl2F3N2
- Molmasse
- 216.98
Namen und Synonyme
2,4-dichloro-6-(trifluoromethyl)pyrimidine16097-64-6pyrimidine, 2,4-dichloro-6-(trifluoromethyl)-DTXSID40319027RefChem:82348DTXCID50270150802-203-7InChI=1/C5HCl2F3N2/c6-3-1-2(5(8,9)10)11-4(7)12-3/h12,4-Dichloro-6-trifluoromethylpyrimidineMFCD09910264NSC3385932,4-dichloro-6-trifluoromethyl-pyrimidine
Weitere Namen anzeigen
4-Dichloro-6-(trifluoromethyl)pyrimidine2,4-Dichloro-6-(trifluoromethyl)-1,3-diazine2,4-Dichloro-6-(trifluoromethyl)pyrimidine 98%2,4-dichloro-6-(trifluoromethyl)pyrimidine ISO 9001：2015 REACH
2,4-dichloro-6-(trifluoromethyl)-pyrimidineSCHEMBL628056AKOS005063578AB55075CS-W004717NSC-338593AC-27632SY009599
Datenbank-Bezeichner
- CAS
16097-64-6- PubChem CID
- 334203
- DTXSID
DTXSID40319027- EC Number
- 802-203-7
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3
- Polarare Oberfläche (TPSA)
- 25,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 163
Physikochemische Eigenschaften
- Schmelzpunkt
- -48 · -48--46 °C
- Siedepunkt
- 37 · 37-38 °C(Press: 0.7 Torr)
- Dichte
- 1.589 · 1.589
- Brechungsindex
- 1.464 · 1.4640
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- -7.56 · -7.56±0.32(Predicted)
- Aggregatzustand
- Liquid
- Farbe
- Pale yellow
- InChI
- InChI=1S/C5HCl2F3N2/c6-3-1-2(5(8,9)10)11-4(7)12-3/h1H
- InChIKey
- ZTNFYAJHLPMNSN-UHFFFAOYSA-N
- SMILES
- C1(Cl)=NC(C(F)(F)F)=CC(Cl)=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]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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.；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.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- hs_code
- 29335990
Chemie und Industrie
Anwendungen
Verwenden2,4-Dichloro-6-trifluoromethylpyrimidine is a useful synthetic intermediate. It can be used to synthesize 2,4-diaminopyrimidines derivatives that show antiplasmodial activities.
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