9H-Fluorene-9,9-dimethanol

HCID 345022

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Basic information

CAS: 4425-93-8
Standard SMILES: OCC1(CO)c2ccccc2-c2ccccc21
InChIKey: RHBLISBUFROBBC-UHFFFAOYSA-N
Molecular formula: C15H14O2
Average molar mass: 226.27 g/mol
Monoisotopic mass: 226.09937969

Names & identifiers

Preferred name: 9H-Fluorene-9,9-dimethanol
IUPAC: [9-(hydroxymethyl)fluoren-9-yl]methanol
English name: 9H-FLUORENE-9,9-DIMETHANOL
Molecular formula: C15H14O2
Molecular weight: 226.27

Names & synonyms

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

Show more names

9HH-Fluorene-9,9-dimethanol

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 17
Formal charge: 0
Complexity: 248

Physicochemical properties

Melting point: 142 · 142-145 °C(lit.)
Boiling point: 422.8 · 422.8±18.0 °C(Predicted)
Density: 1.23 · 1.230±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 14.17 · 14.17±0.10(Predicted)
Appearance: White to off-white Solid
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
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 264 · P264-P270-P301+P312-P501
Hazard Codes: Xn
Risk Statements: 22 · 22
WGK Germany: 3 · 3
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 Oral · Acute Tox. 4 Oral
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 6 items

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.

Hazard information

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

Hazard Classes and CategoriesAcute Tox. 4 (95.1%)

Regulatory information

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

Safety data

wgk: 3
risk_code: 22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
Storage Class: 11 - Combustible Solids
Hazard statements: H302
REACH Registrations: Active
Hazard Classifications: Acute Tox. 4 Oral
Precautionary statements: P264-P270-P301+P312-P501

Chemistry & industry

Applications

Uses9H-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

General Description9H-Fluorene-9,9-dimethanol is an aryldiol.