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Fluoranthene

Catalog Number
ACM206440
Product Name
Fluoranthene
Structure
CAS
206-44-0
Category
Pressure & Heat Sensitive Recording Materials
Synonyms
1,2-Benzacenaphthene
Description
Fluoranthene appears as light yellow fine crystals. (NTP, 1992);Liquid
IUPAC Name
fluoranthene
Molecular Weight
202.25
Molecular Formula
C16H10
Canonical SMILES
C1=CC=C2C(=C1)C3=CC=CC4=C3C2=CC=C4
InChI
InChI=1S/C16H10/c1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14/h1-10H
InChI Key
GVEPBJHOBDJJJI-UHFFFAOYSA-N
Boiling Point
482 °F at 60 mm Hg (NTP, 1992);384.0 °C;384 °C
Melting Point
230 °F (NTP, 1992);107.8 °C;110.2 °C
Flash Point
198.0 °C (388.4 °F) Closed cup
Density
1.252 at 32 °F (NTP, 1992);1.252 at 0 °C/4 °C
Solubility
less than 1 mg/mL at 64° F (NTP, 1992);1.14e-06 M;Virtually insoluble (0.20-0.26 mg/L) in water;Soluble in ethanol, ether, benzene, chloroform and carbon disulfide;Solubility in seawater at 22 °C: 0.1 + or - 0.06 ppm, 0.120 mg/L at 24 °C (99% purity);/Fluoranthene/ has a high molecular weight and its relative non-polarity makes this cmpd very insoluble in water.;Soluble in carbon disulfide, chloroform;Readily soluble in diethyl ether, boiling ethanol, chloroform, carbon disulfide, and glacial acetic acid
Color/Form
Colored needles;Pale yellow needles or plates from alcohol;Pale yellow crystals;Pale yellow needles or plates
Complexity
243
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
EC Number
205-912-4
Exact Mass
202.0782
Formal Charge
0
Heavy Atom Count
16
Hydrogen Bond Acceptor Count
0
Hydrogen Bond Donor Count
0
Isotope Atom Count
0
Log P
5.16 (LogP);log Kow = 5.16
MeSH Entry Terms
fluoranthene
Monoisotopic Mass
202.0782
NSC Number
6803
Other Experimental
Vapor pressure = 0.01 mm Hg at 20 °C;Most reactive at positions 3 and 8; reduction with sodium in ethanol gives tetrahydrofluoranthene; can be chlorinated, brominated and nitrated relatively easily. Concentrated sulfuric acid gives a mono- and a disulfonic acid. Numerous Friedel-Crafts reactions have been carried out with fluoranthene; reacts with nitrogen monoxide and nitrogen dioxide to form nitro derivatives.;Halogenation, nitration, and sulfonation take place predominantly at the 4-position.;Henry's Law constant = 9.45X10-6 atm cu-m/mol at 20 °C;Hydroxyl radical rate constant= 5.00X10-11 cu-cm/molc sec at 25 °C
Rotatable Bond Count
0
Stability
Does not undergo photooxidation in organic solvents under fluorescent light or sunlight; resistant to photodecomposition;Stable under recommended storage conditions.
Topological Polar Surface Area
0 Ų
UNII
360UOL779Z
UN Number
1325;3082
Vapor Pressure
0.01 mm Hg at 68 °F (NTP, 1992);9.22e-06 mmHg;9.22X10-6 mm Hg at 25 °C
XLogP3
5.2
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