4,4'-(9H-Fluorene-9,9-diyl)bis(2-methylphenol)

HCID 11014345

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Grundinformationen

CAS: 88938-12-9
Standard-SMILES: Cc1cc(C2(c3ccc(O)c(C)c3)c3ccccc3-c3ccccc32)ccc1O
InChIKey: NUDSREQIJYWLRA-UHFFFAOYSA-N
Summenformel: C27H22O2
Durchschnittliche Molmasse: 378,5 g/mol
Monoisotopische Masse: 378,16197994

Namen und Bezeichner

Bevorzugter Name: 4,4'-(9H-Fluorene-9,9-diyl)bis(2-methylphenol)
IUPAC: 4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol
Englischer Name: 9,9-Bis(4-hydroxy-3-methylphenyl)fluorene
Summenformel: C27H22O2
Molmasse: 378.46

Namen und Synonyme

88938-12-94,4'-(9H-Fluorene-9,9-diyl)bis(2-methylphenol)DTXSID50451942RefChem:1069240DTXCID404027619,9-Bis(4-hydroxy-3-methylphenyl)fluorene9,9-bis(3-methyl-4-hydroxyphenyl)fluoreneMFCD040380464-[9-(4-HYDROXY-3-METHYLPHENYL)FLUOREN-9-YL]-2-METHYLPHENOLC27H22O29,9-Bis (3-methyl-4-hydroxy phenyl) FluoreneBiscresolfluorene

Weitere Namen anzeigen

9,9-bis(3-methyl-4-nydroxyphenyl)fluorene9,9-Bis(4'-hydroxy-3'-methylphenyl)fluorene9,9-Bis(4-hydroxy-3-methylphenyl)fluorene >4,4’-(9H-fluoren-9-ylidene)bis[2-methyl-Phenol9,9-Bis(3-methy-4-hydroxylphenyl)fluorene (BCF)Phenol, 4,4'-(9H-fluoren-9-ylidene)bis[2-methyl-

BDBM176758US9688816, I4-[9-(4-hydroxy-3-methylphenyl)-9-fluorenyl]-2-methylphenol4,4'-(9-Fluorenylidene)di(o-cresol)Fluorenone Bis-o-Cresol4-[9-(4-hydroxy-3-methyl-phenyl)fluoren-9-yl]-2-methyl-phenolFT-07692414,4'-(9-Fluorenylidene)-di-o-cresoll-9,9-bis(3-methyl-4-hydroxyphenyl)fluorene

Datenbank-Bezeichner

CAS: 88938-12-9
PubChem CID: 11014345
DTXSID: DTXSID50451942
ChEMBL: CHEMBL5984335
Nikkaji: J1.517.548F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 6,7
Polarare Oberfläche (TPSA): 40,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 29
Formalladung: 0
Komplexität: 523

Physikochemische Eigenschaften

Schmelzpunkt: 218 · 218-219°C
Siedepunkt: 533.4 · 533.4±50.0 °C(Predicted)
Dichte: 1.242 · 1.242±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Wasserlöslichkeit: Insoluble in water
Aggregatzustand: powder to crystal
pka: 9.97 · 9.97±0.35(Predicted)
Farbe: White to Almost white
InChI: InChI=1S/C27H22O2/c1-17-15-19(11-13-25(17)28)27(20-12-14-26(29)18(2)16-20)23-9-5-3-7-21(23)22-8-4-6-10-24(22)27/h3-16,28-29H,1-2H3
InChIKey: NUDSREQIJYWLRA-UHFFFAOYSA-N
SMILES: C1(C2=CC=C(O)C(C)=C2)(C2=CC=C(O)C(C)=C2)C2=C(C=CC=C2)C2=C1C=CC=C2
CAS Datenbank: 88938 · 88938-12-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

Sicherheitsdaten

hs_code: 2907.29.9000
risk_code: 37
hazard_code: Xi
safety_code: 26-36

Chemie und Industrie

Anwendungen · 2 Einträge

Beschreibung9,9-Bis(4-hydroxy-3-methylphenyl)fluorene (also known as Biscresolfluorene) is an important chemical reagent that can be used as a host compound for preparing inclusion complexes. It tightly binds volatile guests while loosely binding non-volatile guests.

VerwendenBiscresolfluorene is used as functional material intermediatesused as functional material intermediates.