4,4'-Cyclohexylidenbisphenol

Bezeichnung:4,4'-Cyclohexylidenbisphenol

CAS-Nr843-55-0

Englisch Name:4,4'-Cyclohexylidenebisphenol

CBNumberCB0103479

SummenformelC18H20O2

Molgewicht268.35

MOL-Datei843-55-0.mol

Synonyma

4,4'-Cyclohexylidenbisphenol

4,4'-Cyclohexylidenbisphenol physikalisch-chemischer Eigenschaften

Schmelzpunkt	190-192 °C(lit.)
Siedepunkt	371.51°C (rough estimate)
Dichte	1.0496 (rough estimate)
Brechungsindex	1.5490 (estimate)
storage temp.	Inert atmosphere,Room Temperature
Wasserlöslichkeit	Practically insoluble in water
Löslichkeit	DMSO (Slightly), Methanol (Slightly)
pka	9.91±0.30(Predicted)
Farbe	White to Almost white
InChI	InChI=1S/C18H20O2/c19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15/h4-11,19-20H,1-3,12-13H2
InChIKey	SDDLEVPIDBLVHC-UHFFFAOYSA-N
SMILES	C1(C2=CC=C(O)C=C2)(C2=CC=C(O)C=C2)CCCCC1
CAS Datenbank	843-55-0(CAS DataBase Reference)

Sicherheit

Kennzeichnung gefährlicher	Xi
R-Sätze:	36/37/38
S-Sätze:	26-36
RIDADR	3077
WGK Germany	3
HazardClass	9
PackingGroup	III
HS Code	29072990
Speicherklasse	11 - Combustible Solids
Hazard Classifications	Eye Irrit. 2 Skin Irrit. 2 STOT SE 3

Gefahreninformationscode (GHS)

4,4'-Cyclohexylidenebisphenol Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R36/37/38:Reizt die Augen, die Atmungsorgane und die Haut.
S-Sätze Betriebsanweisung:
S26:Bei Berührung mit den Augen sofort gründlich mit Wasser abspülen und Arzt konsultieren.
S36:DE: Bei der Arbeit geeignete Schutzkleidung tragen.
Chemische Eigenschaften
White Crystal
Verwenden
Bisphenol Z is one of the many derivatives of Bisphenol A (B519495) that can be used as HIF (hypoxia-inducible factor) inhibitors, antitumor agents, angiogenesis inhibitors, and antihypoxic agents.
Definition
ChEBI: Bisphenol Z is a diarylmethane.
Synthese
In a 500 mL four-necked flask equipped with a PTFE stirrer, thermometer, reflux condenser and HCl gas introduction tube, 150.4 g (16 mol) of phenol, 39.2 g (0.4 mol) of cyclohexanone, 100 mL of toluene, and 624 g (008 mol) of 2-mercaptoethanol were added; and +dried HCl gas was passed through the flask at a uniform rate of 016 mol/h. The reaction was heated to 30 C and maintained for 7 h. Stopping stirring and heating, the slurry was filtered under pressure to obtain a pink filter cake. The reaction was heated in a water bath, raised to 30 C and kept for 7 h. Stirring and heating were stopped and the resulting slurry-like consistency was filtered under reduced pressure to give a pink filter cake. The filter cake was washed with deionized water at 100 for 3~4 times until the pH was 7, and the crude product was dried to obtain 114.5 g. The crude product was dissolved in a round bottom flask heated with anhydrous ethanol, and then filtered under reduced pressure while it was hot to filter off the impurities insoluble in ethanol, the filtrate was cooled to room temperature, and then put into a refrigerator to cool down for crystallization, and recrystallized for 2~3 times, and the white crystals of 105.5 g were obtained with the yield of 98.4%.

4,4'-Cyclohexylidenebisphenol Upstream-Materialien And Downstream Produkte

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