1,1,1-Trifluoro-4-iodobutane
Grundinformationen
- CAS
461-17-6- Standard-SMILES
FC(F)(F)CCCI- InChIKey
LNDGACQEAYKNOI-UHFFFAOYSA-N- Summenformel
- C4H6F3I
- Durchschnittliche Molmasse
- 237,99 g/mol
- Monoisotopische Masse
- 237,94663285
Namen und Bezeichner
- Bevorzugter Name
- 1,1,1-Trifluoro-4-iodobutane
- IUPAC
- 1,1,1-trifluoro-4-iodobutane
- Englischer Name
- 1,1,1-Trifluoro-4-iodobutane
- Summenformel
- C4H6F3I
- Molmasse
- 237.99
Namen und Synonyme
1,1,1-Trifluoro-4-iodobutane461-17-6DTXSID80379443RefChem:409472DTXCID90330469610-281-71-Iodo-4,4,4-trifluorobutane4,4,4-trifluoro-1-iodobutane4-iodo-1,1,1-trifluorobutaneButane, 1,1,1-trifluoro-4-iodo-MFCD000415431,1,1-trifluoro-4-iodo-butane
Weitere Namen anzeigen
uoro-4-iodobutane1-Iodo-4,4,4-trifluorobutane99%1-Iodo-4,4,4-trifluorobutane 99%4-Iodo-1,1,1-trifluorobutane 99%
4,4,4-trifluorobutyliodide1-iodo-4,4,4-trifluoro-butaneAS-31128SY013146EN300-72535544,4,4-Trifluorobutyl iodideFT-0607952A826991
Datenbank-Bezeichner
- CAS
461-17-6- PubChem CID
- 2775189
- DTXSID
DTXSID80379443- EC Number
- 610-281-7
- Nikkaji
- J1.250.531K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,3
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 58,8
Physikochemische Eigenschaften
- Siedepunkt
- 126 °C · 126 °C
- Dichte
- 1.85 · 1.85
- Brechungsindex
- 1.4326 · 1.4326
- Flammpunkt
- 100 °C · >100°C
- storage temp.
- 2 · 2-8°C(protect from light)
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Light yellow to Light orange
- BRN
- 1736064 · 1736064
- InChI
- InChI=1S/C4H6F3I/c5-4(6,7)2-1-3-8/h1-3H2
- InChIKey
- LNDGACQEAYKNOI-UHFFFAOYSA-N
- SMILES
- C(F)(F)(F)CCCI
- CAS Datenbank
- 461 · 461-17-6(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
H226 (12.5%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesFlam. Liq. 3 (12.5%)
Sicherheitsdaten
- hs_code
- 29037990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 23-26-36-37
- hazard_class
- IRRITANT
Chemie und Industrie
Anwendungen
Beschreibung1,1,1-Trifluoro-4-iodobutane is an organic compound with the chemical formula CIF3. It is a colorless liquid that reacts with water and alcohol to form hydrogen fluoride and hydrofluoric acid. 1,1,1-Trifluoro-4-iodobutane is a potent sensitizer that can irritate the skin and eyes. It has been used experimentally as a solvent for diethyl ether in the synthesis of piperidinium salts. The cavity viscosity of 1,1,1-trifluoro-4-iodobutane has been measured at room temperature and found to be 0.0038 Pa·s at 25 °C. In laboratory tests, this molecule has shown antibacterial activity against Propionibacterium acnes (P. acnes) and Staphylococcus aureus (S. aureus).
Verwenden1,1,1-Trifluoro-4-Iodobutane can be used to prepare small molecule inhibitors of SLC15A4 possessing anti-inflammatory activity.
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