9H-Fluoren-2-ol

9H-Fluoren-2-ol · 2-Hydroxy-9H-fluorene · NSC 31248 · NSC 26316 · 2- Hydroxyl · 2-Hydroxyfl · 2-FLUORENOL · Fluoren-2-ol

Identifikatoren & physikalische Daten

CAS No.	2443-58-5
Summenformel	C13H10O
Durchschnittliche Molmasse	182,22 g/mol
Monoisotopische Masse	182,07316494 g/mol
SMILES	Oc1ccc2c(c1)Cc1ccccc1-2
InChIKey	ZDOIAPGLORMKTR-UHFFFAOYSA-N
PubChem CID	75547
ChEMBL	CHEMBL3182722
ChEBI	CHEBI:34289
EC No.	219-478-9
DTXSID	DTXSID2047569
Lokaler Name	9H-Fluoren-2-ol

XLogP	3,5
Polarare Oberfläche (TPSA)	20,2
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	0
Schwere Atome	14
Formalladung	0
Komplexität	213
Polymers	Other Classes -> Polycyclic Aromatic HydrocarbonsPolycyclic aromatic compound
Endocrine Disruptors	Potential endocrine disrupting compound
Schmelzpunkt	168 °C167-169 °C (lit.)
Physical Description	Solid
Collision Cross Section	141.5 Å² [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID2047569]
Siedepunkt	266.3 °C
Dichte	0.9982 g/cm3
Lagerbedingungen	Refrigerator
Löslichkeit	Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand	Solid
pKa (Säurekonstante)	9.94±0.20(Predicted)
Farbe	White to Off-White
InChI	1S/C13H10O/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8,14H,7H2
InChIKey	ZDOIAPGLORMKTR-UHFFFAOYSA-N
SMILES	Oc1ccc-2c(Cc3ccccc-23)c1

GHS-Einstufung	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenübersicht	A urinary metabolite of fluorene[ToxPlanet: CDC] An irritant[Sigma-Aldrich MSDS] See Fluorene.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
Wassergefährdungsklasse (WGK)	3
R-Sätze (R)	36/37/38
Gefahrensymbole	Xi
Sicherheitshinweise (S)	26-37/39
Lagerklasse	11 - Combustible Solids
Gefahrenklasse	Eye Irrit. 2Skin Irrit. 2STOT SE 3

A metabolite of polycyclic aromatic hydrocarbons in humans.