9,9-Bis[4-(2-hydroxyethoxy)phenyl]fluorene

HCID 3764404CAS 117344-32-8

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Grundinformationen

Standard-SMILES: OCCOc1ccc(C2(c3ccc(OCCO)cc3)c3ccccc3-c3ccccc32)cc1
InChIKey: NQXNYVAALXGLQT-UHFFFAOYSA-N
Summenformel: C29H26O4
Durchschnittliche Molmasse: 438,5 g/mol
Monoisotopische Masse: 438,18310931

Namen und Bezeichner

Bevorzugter Name: 9,9-Bis[4-(2-hydroxyethoxy)phenyl]fluorene
IUPAC: 2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol
Englischer Name: Bisphenoxyethanolfluorene
Summenformel: C29H26O4
Molmasse: 438.51

Namen und Synonyme

117344-32-89,9-Bis[4-(2-hydroxyethoxy)phenyl]fluoreneDTXSID803960999,9-bis(4-(2-hydroxyethoxy)phenyl)fluoreneRefChem:312682DTXCID80346958672-704-1Bisphenoxyethanolfluorene2,2'-(((9H-Fluorene-9,9-diyl)bis(4,1-phenylene))bis(oxy))diethanol4,4'-(9-Fluorenylidene)bis(2-phenoxyethanol)2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethanolEthanol, 2,2'-[9H-fluoren-9-ylidenebis(4,1-phenyleneoxy)]bis-

Weitere Namen anzeigen

bpefBK122LABOTEST-BB LT00112265Bisphenoxyethanolfuorene9-FluorenbisphenoxyethanolBISPHENOXY ETHANOL FLUORENONE9,9-Bis[4-(2-Hydroxyethoxy)PheBisphenoxyethanolfluorene BPEFTIANFU-CHEM Bisphenoxyethanolfluorene

MFCD00216628C29H26O4SY0363172,2''-[9H-Fluoren-9-ylidenebis(4,1-phenyleneoxy)]bis[ethanol]D704979,9-Bis[4-(2-hydroxyethoxy)phenyl]fluorene, 98%2,2'-(((9H-fluorene-9,9-diyl)bis(4,1-phenylene))bis(oxy))bis(ethan-1-ol)2-(4-{9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl}phenoxy)ethan-1-ol

Datenbank-Bezeichner

CAS: 117344-32-8
PubChem CID: 3764404
DTXSID: DTXSID80396099
ChEMBL: CHEMBL336021
EC Number: 672-704-1
Nikkaji: J719.815I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 5,2
Polarare Oberfläche (TPSA): 58,9 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 8
Schwere Atome: 33
Formalladung: 0
Komplexität: 540

Physikochemische Eigenschaften

Schmelzpunkt: 117 · 117-120 °C(lit.)
Siedepunkt: 610.7 · 610.7±55.0 °C(Predicted)
Dichte: 1.248 · 1.248±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Wasserlöslichkeit: Insoluble in water
Aggregatzustand: powder to crystal
pka: 13.95 · 13.95±0.10(Predicted)
Farbe: White to Almost white
InChI: InChI=1S/C29H26O4/c30-17-19-32-23-13-9-21(10-14-23)29(22-11-15-24(16-12-22)33-20-18-31)27-7-3-1-5-25(27)26-6-2-4-8-28(26)29/h1-16,30-31H,17-20H2
InChIKey: NQXNYVAALXGLQT-UHFFFAOYSA-N
SMILES: C1(C2=CC=C(OCCO)C=C2)(C2=CC=C(OCCO)C=C2)C2=C(C=CC=C2)C2=C1C=CC=C2
CAS Datenbank: 117344 · 117344-32-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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 CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29094990
risk_code: 37
hazard_code: Xi
safety_code: 26-36
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen · 2 Einträge

BeschreibungBisphenoxyethanolfluorene (also name 4,4′-(9-Fluorenylidene)bis(2-phenoxyethanol); BPEF) is a low-mass compound, primarily used in the preparation of polymer resins and films. Research indicates that adding BPEF reduces the orientation birefringence of thermally stretched cellulose acetate propionate (CAP) films.

Verwenden4,4′-(9-Fluorenylidene)bis(2-phenoxyethanol) may be used for the following syntheses:poly-(carbotetramethyldisiloxane)s, containing poly[oxy{4,4′-(9-fluorenylidene)bis(2-phenoxyethylene)}oxytetramethyldisiloxane] (a fluorescent aromatic chromophore group)poly[oxy(arylene)oxy(tetramethyldisilylene)]s, containing fluorescent aromatic chromophore groups in the polymer main chain, via melt copolymerization reaction with 1,2-bis(diethylamino)tetramethyldisilane