Grundinformationen
- Standard-SMILES
O=c1cc(C(F)(F)F)[nH]c2ccc(F)cc12- InChIKey
FNDABQIPEQHTNR-UHFFFAOYSA-N- Summenformel
- C10H5F4NO
- Durchschnittliche Molmasse
- 231,15 g/mol
- Monoisotopische Masse
- 231,03072666
Namen und Bezeichner
- Bevorzugter Name
- 6-Fluoro-4-hydroxy-2-(trifluoromethyl)quinoline
- IUPAC
- 6-fluoro-2-(trifluoromethyl)-1H-quinolin-4-one
- Englischer Name
- 6-Fluoro-4-hydroxy-2-(trifluoromethyl)quinoline
- Summenformel
- C10H5F4NO
- Molmasse
- 231.15
Namen und Synonyme
31009-34-46-Fluoro-4-hydroxy-2-(trifluoromethyl)quinoline6-fluoro-2-(trifluoromethyl)quinolin-4-ol6-FLUORO-2-(TRIFLUOROMETHYL)QUINOLIN-4(1H)-ONE587885-83-46-fluoro-2-(trifluoromethyl)-1H-quinolin-4-oneMFCD002765824-Quinolinol, 6-fluoro-2-(trifluoromethyl)-6-Fluoro--4-hydroxy-2-(trifluoromethyl)quinolineMFCD12147920NSC1425326-Fluoro-2-(trifluoromethyl)-4-quinolinol
Weitere Namen anzeigen
6-fluoro-2-(trifluoromethyl)-4-quinolone6-Fluoro-4-hydroxy-2-(trifluoromethyl)quinoline97%6-Fluoro-4-hydroxy-2-(trifluoromethyl)quinoline 97%
SCHEMBL4420000CHEMBL3727777DTXSID80301345BUTTPARK 37\04-03FNDABQIPEQHTNR-UHFFFAOYSA-NSBB097719AKOS009158663AKOS015853415
Datenbank-Bezeichner
- CAS
31009-34-4- PubChem CID
- 285540
- DTXSID
DTXSID80301345- ChEMBL
CHEMBL3727777- EC Number
- 109-491-7
- Nikkaji
- J1.248.649I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,6
- Polarare Oberfläche (TPSA)
- 29,1 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 336
Physikochemische Eigenschaften
- Schmelzpunkt
- 259 · 259-263°C
- Siedepunkt
- 302.9 · 302.9±37.0 °C(Predicted)
- Dichte
- 1.511 · 1.511±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 6.4 · 6.40±0.40(Predicted)
- Aggregatzustand
- solid
- InChI
- 1S/C10H5F4NO/c11-5-1-2-7-6(3-5)8(16)4-9(15-7)10(12,13)14/h1-4H,(H,15,16)
- InChIKey
- FNDABQIPEQHTNR-UHFFFAOYSA-N
- SMILES
- Oc1cc(nc2ccc(F)cc12)C(F)(F)F
- CAS Datenbank
- 31009 · 31009-34-4(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Sicherheitsdaten
- wgk
- WGK 3
- ridadr
- UN 2811 6.1 / PGIII
- hs_code
- 29334900
- risk_code
- 36/37/38-25
- hazard_code
- Xi,T
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-45
- hazard_class
- 6.1
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- Acute Tox. 3 Oral
Chemie und Industrie
Anwendungen
Verwenden6-Fluoro--4-hydroxy-2-(trifluoromethyl)quinoline
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
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