Fluorene - CAS 86-73-7

Technical Data

IUPAC Name:	9H-fluorene
Description:	Fluorene (CAS# 86-73-7) is a useful reagent for the preparation of 5-membered aminoheterocyclic and 5,6- or 6,6-membered bicyclic aminoheterocyclic inhibitors of ROCK for the treatment of heart failure.
Molecular Weight:	166.22
Molecular Formula:	C13H10
Canonical SMILES:	C1C2=CC=CC=C2C3=CC=CC=C31
InChI:	InChI=1S/C13H10/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-8H,9H2
InChI Key:	NIHNNTQXNPWCJQ-UHFFFAOYSA-N
Boiling Point:	298 ℃
Melting Point:	112-116 ℃
Flash Point:	151ºC
Purity:	95 %
Density:	1.203 g/cm³
Solubility:	Insoluble. (1.7mg/kg) (NTP, 1992);1.14e-05 M;In water, 1.69 mg/L at 25 °C;Insoluble in water;Freely soluble in glacial acetic acid; soluble in hot alcohol;Slightly soluble in ethanol; soluble in ethyl ether, acetone, benzene, carbon disulfide;Soluble in carbon tetrachloride, toluene, glacial acetic acid, pyridine; very soluble in methanol;Soluble in acetone
Appearance:	White flakes
Storage:	APPROX 4 ℃
Decomposition:	Hazardous decomposition products formed under fire conditions - carbon oxides
MDL:	MFCD00001111
LogP:	3.25780
Refractive Index:	1.645
Stability:	Stable. Combustible. Incompatible with strong oxidizing agents.
Vapor Pressure:	10 mm Hg at 294.8 °F (NTP, 1992);6.00e-04 mmHg;6.0X10-4 mm Hg at 25 °C

GHS Hazard Statement:	H315 (11.11%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
32856796	20200828	Oxidative stress and inflammatory effects in human lung epithelial A549 cells induced by phenanthrene, fluorene, and their binary mixture	Environmental toxicology
32385190	20200701	Fluorene exposure among PAH-exposed workers is associated with epigenetic markers related to lung cancer	Occupational and environmental medicine
30668803	20190501	Polycyclic Aromatic Hydrocarbons and Endocrine Disruption: Role of Testicular Gap Junctional Intercellular Communication and Connexins	Toxicological sciences : an official journal of the Society of Toxicology
29630969	20180901	Systematic developmental neurotoxicity assessment of a representative PAH Superfund mixture using zebrafish	Toxicology and applied pharmacology
28927721	20180201	Agonistic effects of diverse xenobiotics on the constitutive androstane receptor as detected in a recombinant yeast-cell assay	Toxicology in vitro : an international journal published in association with BIBRA

Complexity:	165
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	166.078250319
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	166.078250319
Rotatable Bond Count:	0
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.2