Grundinformationen
- Standard-SMILES
Fc1ccc(I)cc1- InChIKey
KGNQDBQYEBMPFZ-UHFFFAOYSA-N- Summenformel
- C6H4FI
- Durchschnittliche Molmasse
- 222 g/mol
- Monoisotopische Masse
- 221,93418
Namen und Bezeichner
- Bevorzugter Name
- 4-Fluoroiodobenzene
- IUPAC
- 1-fluoro-4-iodobenzene
- Lokaler Name
- 4-Fluoriodobenzol
- Englischer Name
- 1-Fluoro-4-iodobenzene
- Summenformel
- C6H4FI
- Molmasse
- 222
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
352-34-1- PubChem CID
- 9605
- DTXSID
DTXSID7059854- UNII
- H2Z2C5X7RW
- EC Number
- 206-522-7
- Nikkaji
- J95.444F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,4
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 66
Physikochemische Eigenschaften
- Schmelzpunkt
- -20 °C · -20 °C (lit.)
- Siedepunkt
- 182 · 182-184 °C (lit.)
- Dichte
- 1.925 g/mL · 1.925 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.583(lit.)
- Flammpunkt
- 155 °F · 155 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Aggregatzustand
- Liquid
- Wichte
- 1.925 · 1.925
- Farbe
- Clear yellow
- Wasserlöslichkeit
- Insoluble in water.
- BRN
- 1853970 · 1853970
- Henry's Law Constant
- 4.5 · 4.5×10-3 mol/(m3Pa) at 25℃, Ebert et al. (2023)
- InChI
- 1S/C6H4FI/c7-5-1-3-6(8)4-2-5/h1-4H
- InChIKey
- KGNQDBQYEBMPFZ-UHFFFAOYSA-N
- SMILES
- Fc1ccc(I)cc1
- CAS Datenbank
- 352 · 352-34-1(CAS DataBase Reference)
- NIST chemische Informationen
- 1 · Benzene, 1-fluoro-4-iodo-(352-34-1)
- EPA chemische Informationen
- p-Fluoroiodobenzene (352-34-1)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 49 reports by companies from 9 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
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN2810
- hs_code
- 29049090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36-37/39-2637/39
- hazard_class
- IRRITANT
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
Beschreibung4-[18F] Fluoroiodobenzene is a versatile building block in 18F radiochemistry and is used in various transition metal-mediated C-C and C-N cross-coupling reactions. Cross-coupling reaction of 4-fluoroiodobenzene with potassium pentafluorophenyltrifluoroborate in the presence of different palladium catalysts and silver oxide in toluene has been investigated.
Verwendensuzuki reaction
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Anbieter50 Anbieter
Zugehörige Reaktionen
Verknüpfte Notizen
Wird geladen…