9H-Fluorene-9,9-dimethanol

HCID 345022CAS 4425-93-8

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Grundinformationen

Standard-SMILES: OCC1(CO)c2ccccc2-c2ccccc21
InChIKey: RHBLISBUFROBBC-UHFFFAOYSA-N
Summenformel: C15H14O2
Durchschnittliche Molmasse: 226,27 g/mol
Monoisotopische Masse: 226,09937969

Namen und Bezeichner

Bevorzugter Name: 9H-Fluorene-9,9-dimethanol
IUPAC: [9-(hydroxymethyl)fluoren-9-yl]methanol
Englischer Name: 9H-FLUORENE-9,9-DIMETHANOL
Summenformel: C15H14O2
Molmasse: 226.27

Namen und Synonyme

9H-Fluorene-9,9-dimethanol4425-93-8DTXSID50322885RefChem:108251DTXCID20274004610-170-3[9-(hydroxymethyl)fluoren-9-yl]methanolMFCD01321348(9H-fluorene-9,9-diyl)dimethanol(9-Hydroxymethyl-9H-fluoren-9-yl)-methanolNSC 4022309,9-di(hydroxymethyl)fluorene

Weitere Namen anzeigen

9HH-Fluorene-9,9-dimethanol

9,9-bis(hydroxymethyl)fluorene9,9-bis(hydroxymethyl)-fluoreneSB37204DS-15155C75196Fluorene-9,9-dimethanolAMY18620Fluorene-9,9-di

Datenbank-Bezeichner

CAS: 4425-93-8
PubChem CID: 345022
DTXSID: DTXSID50322885
EC Number: 610-170-3
Nikkaji: J2.027.573A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 40,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 17
Formalladung: 0
Komplexität: 248

Physikochemische Eigenschaften

Schmelzpunkt: 142 · 142-145 °C(lit.)
Siedepunkt: 422.8 · 422.8±18.0 °C(Predicted)
Dichte: 1.23 · 1.230±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 14.17 · 14.17±0.10(Predicted)
InChI: InChI=1S/C15H14O2/c16-9-15(10-17)13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,16-17H,9-10H2
InChIKey: RHBLISBUFROBBC-UHFFFAOYSA-N
SMILES: C1(CO)(CO)C2=C(C=CC=C2)C2=C1C=CC=C2
LogP: 7 · 7

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 4.9% (2 of 41) of reports.

Warning

H302 (95.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 2 of 41 reports by companies.；There is 1 notification provided by 39 of 41 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 11-11-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/18290

Hazard Classes and CategoriesAcute Tox. 4 (95.1%)

Regulatorische Informationen

Regulatory InformationStatus: Active Update: 11-11-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/18290

Sicherheitsdaten

wgk: 3
risk_code: 22
hazard_code: Xn
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 Oral

Chemie und Industrie

Anwendungen

Verwenden9H-Fluorene-9,9-dimethanol may be used in the synthesis of:4,4′-(9H-fluorene-9-yl-dimethoxy)diphthalonitrile]poly- [oxy(9H-fluoren-9,9-dimethylene)oxy(tetramethyldisilylene)]9,9-(Ph2POCH2)2-fluorene, a diphosphinite ligand