Decafluorbenzophenon

Decafluorobenzophenone

HCID 70068CAS 853-39-4

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Grundinformationen

Standard-SMILES: O=C(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
InChIKey: WWQLXRAKBJVNCC-UHFFFAOYSA-N
Summenformel: C13F10O
Durchschnittliche Molmasse: 362,12 g/mol
Monoisotopische Masse: 361,97894682

Namen und Bezeichner

Bevorzugter Name: Decafluorobenzophenone
IUPAC: bis(2,3,4,5,6-pentafluorophenyl)methanone
Lokaler Name: Decafluorbenzophenon
Englischer Name: Decafluorobenzophenone
Summenformel: C13F10O
Molmasse: 362.12

Namen und Synonyme

Decafluorobenzophenone853-39-4PerfluorobenzophenoneBenzophenone, decafluoro-Methanone, bis(pentafluorophenyl)-EINECS 212-717-8DTXSID60234501NSC 96914RefChem:131150DTXCID20156992212-717-8WWQLXRAKBJVNCC-UHFFFAOYSA-N

Weitere Namen anzeigen

Perfluorobenzophenone 98%Decafluorobenzophenone98%Decafluorobenzophenone >Decafluorobenzophenone 98%Bis(pentafluorophenyl) ketone

Bis(perfluorophenyl)methanoneBis(2,3,4,5,6-pentafluorophenyl)methanoneMFCD00000295di2,3,4,5,6-pentafluorophenyl ketonebis(pentafluorophenyl)methanoneC13F10OdecafluorbenzophenonNSC96914

Datenbank-Bezeichner

CAS: 853-39-4
PubChem CID: 70068
DTXSID: DTXSID60234501
ChEMBL: CHEMBL2001102
EC Number: 212-717-8
Nikkaji: J45.973I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,3
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 11
Frei drehbare Bindungen: 2
Schwere Atome: 24
Formalladung: 0
Komplexität: 406

Experimentelle und physikochemische Eigenschaften

PFASPFAS -> Other/unspecified

SpringerMaterials PropertiesFluorescence

Physikochemische Eigenschaften

Schmelzpunkt: 90 · 90-95 °C(lit.)
Siedepunkt: 206 · 206
Dichte: 1.6684 · 1.6684 (estimate)
storage temp.: 0 · Store at 0-8 °C
Aggregatzustand: powder to crystaline
Farbe: White to Light yellow
Wasserlöslichkeit: Soluble in methanol. Insoluble in water.
BRN: 2066476 · 2066476
Stabilität: Stable. Incompatible with strong oxidising agents.
InChI: 1S/C13F10O/c14-3-1(4(15)8(19)11(22)7(3)18)13(24)2-5(16)9(20)12(23)10(21)6(2)17
InChIKey: WWQLXRAKBJVNCC-UHFFFAOYSA-N
SMILES: Fc1c(F)c(F)c(c(F)c1F)C(=O)c2c(F)c(F)c(F)c(F)c2F
CAS Datenbank: 853 · 853-39-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 60% (3 of 5) of all reports.

Warning

H315 (40%): 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 5 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (40%)

Sicherheitsdaten

wgk: 3
hs_code: 29147000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 37/39-26-24/25
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenPerfluorobenzophenone was used in the synthesis of fluorinated acridones and acridines. Fluorinated polyetherketones prepared from decafluorobenzophenone. Laser pulse excitation of decafluorobenzophenone (DFB) in acetonitrile yields the triplet 3DFB.