Pentafluoriodbenzol

Pentafluoroiodobenzene

HCID 70008CAS 827-15-6

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Grundinformationen

Standard-SMILES: Fc1c(F)c(F)c(I)c(F)c1F
InChIKey: OPYHNLNYCRZOGY-UHFFFAOYSA-N
Summenformel: C6F5I
Durchschnittliche Molmasse: 293,96 g/mol
Monoisotopische Masse: 293,8964891

Namen und Bezeichner

Bevorzugter Name: Pentafluoroiodobenzene
IUPAC: 1,2,3,4,5-pentafluoro-6-iodobenzene
Lokaler Name: Pentafluoriodbenzol
Englischer Name: IODOPENTAFLUOROBENZENE
Summenformel: C6F5I
Molmasse: 293.96

Namen und Synonyme

IodopentafluorobenzenePentafluoroiodobenzeneBenzene, pentafluoroiodo-Iodoperfluorobenzene2,3,4,5,6-Pentafluoroiodobenzene1,2,3,4,5-Pentafluoro-6-iodo-benzenePentafluorophenyl iodideEINECS 212-565-2PerfluoroiodobenzeneDTXSID10231969NSC 88306RefChem:171368

Weitere Namen anzeigen

PentafluoriodbenzolFive-fluoroiodobenzenePentafluoroiodiophenylIodoperfluorobenzene 99%

DTXCID90154460212-565-2OPYHNLNYCRZOGY-UHFFFAOYSA-N827-15-61,2,3,4,5-pentafluoro-6-iodobenzeneMFCD00001032C6F5Ibenzene, 1,2,3,4,5-pentafluoro-6-iodo-

Datenbank-Bezeichner

CAS: 827-15-6
PubChem CID: 70008
DTXSID: DTXSID10231969
UNII: 6FL842U9F2
EC Number: 212-565-2
Nikkaji: J108.273F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,1
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 150

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Halogenated Monoaromatics

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: -29 °C · -29°C
Siedepunkt: 161 °C · 161 °C(lit.)
Dichte: 2.204 g/mL · 2.204 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.496(lit.)
Flammpunkt: None
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Aggregatzustand: Liquid
Wichte: 2.204 · 2.204
Farbe: Clear colorless
Wasserlöslichkeit: Insoluble in water.
BRN: 2051549 · 2051549
InChI: InChI=1S/C6F5I/c7-1-2(8)4(10)6(12)5(11)3(1)9
InChIKey: OPYHNLNYCRZOGY-UHFFFAOYSA-N
SMILES: C1(F)=C(I)C(F)=C(F)C(F)=C1F
CAS Datenbank: 827 · 827-15-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Fluorobenzene.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29039990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39-24/25
hazard_class: IRRITANT
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenIodopentafluorobenzene was used to study the formation of radical ions of iodopentafluorobenzene in aqueous solution . It was used as solvent in a study to determine singlet oxgen lifetimes from phosphorescence decays in halogen substituted perfluorinated solvents by infrared emission spectrometery . It has potential applications in plasma processing industry and in preparation of catalysts .