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Anthracene

Catalog Number
ACM120127-1
CAS Number
120-12-7
Product Name
Anthracene
Structure
Category
Carbon Nanomaterials; Electroluminescence Materials; Organic Light-Emitting Diode (OLED) Materials; Sublimed Materials
Synonyms
Paranaphthalene
Description
Anthracene is a white to yellow solid with a weak aromatic odor. Sinks in water. (USCG, 1999);DryPowder;WHITE CRYSTALS OR FLAKES.;White to yellow solid with a weak aromatic odor.
IUPAC Name
anthracene
Molecular Weight
178.23
Molecular Formula
C14H10
Canonical SMILES
C1=CC=C2C=C3C=CC=CC3=CC2=C1
InChI
InChI=1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H
InChI Key
MWPLVEDNUUSJAV-UHFFFAOYSA-N
Boiling Point
644 °F at 760 mm Hg (corrected); 439.7° F at 53 mm Hg, sublimes (NTP, 1992);339.9 °C;341.3 °C;342 °C;644°F
Melting Point
421 to 424 °F (NTP, 1992);215.0 °C;216 °C;218 °C;421-424°F
Flash Point
250 °F (NTP, 1992);121.0 °C (249.8 °F) - closed cup;250 °F (121 °C) (Closed cup);121 °C;250°F
Density
1.24 at 68 °F (USCG, 1999);1.25 at 27 °C/4 °C;1.25-1.28 g/cm³;1.24
Solubility
less than 1 mg/mL at 68° F (NTP, 1992);2.44e-07 M;In water, 4.34X10-2 mg/L at 24 °C;Insoluble in water;1.29 mg/L at 25 °C in distilled water;0.6 mg/L at 25 °C in salt water;One gram dissolves in 67 mL absolute alcohol, 70 mL methanol, 62 mL benzene, 85 mL chloroform, 200 mL ether, 31 mL carbon disulfide, 86 mL carbon tetrachloride, 125 mL toluene.;Slightly soluble in ethanol. ethyl ether, acetone, benzene, chloroform, carbon tetrachloride;Soluble in alcohol at 1.9/100 at 20 °C; in ether 12.2/100 at 20 °C;Solubility in water, g/100ml at 20 °C: 0.00013
Color/Form
Monoclinic plates from alcohol recrystallization; when pure, colorless with violet fluorescence;Tablets or monoclinic prisms from alcohol;Yellow crystals with blue fluorescence;Pale yellow leaves
Complexity
154
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
EC Number
204-371-1;292-602-7
Exact Mass
178.0782
Formal Charge
0
Heat of Vaporization
294 kJ/kg
Heavy Atom Count
14
Hydrogen Bond Acceptor Count
0
Hydrogen Bond Donor Count
0
ICSC Number
0825
Isotope Atom Count
0
Log P
4.45 (LogP);log Kow = 4.45;4.5 (calculated)
MeSH Entry Terms
anthracene;anthracene, sodium salt, ion (1-)
Monoisotopic Mass
178.0782
NSC Number
7958
Odor
Weak aromatic odor
Other Experimental
Strongly triboluminescent and triboelectric; forms molecular addition products with nitrogen compounds;Anthracene has semiconducting properties;Sublimes at 226.5 °C at 53 mm Hg;When impure (due to tetracene, naphthacene), yellow with green fluorescence;Anthracene darkens in sunlight.;Specific heat capacity 1,164 J/kg at 24 °C; Heat of fusion 162 kJ/kg.;VP: 1 mm Hg at 145 °C (sublimes);Henry's Law constant = 4.88X10-5 atm-cu m/mole at 25 °C;Hydroxyl radical reaction rate constant = 1.79X10-10 cu-cm/molc sec at 25 °C
Rotatable Bond Count
0
RTECS Number
CA9350000
Stability
Stable under recommended storage conditions.;Strongly triboluminescent and triboelectric.;Anthracene darkens in sunlight.
Topological Polar Surface Area
0 Ų
UNII
EH46A1TLD7
UN Number
1137
Vapor Density
6.15 (NTP, 1992) (Relative to Air);6.15 (Air = 1.0);Relative vapor density (air = 1): 6.15;6.15
Vapor Pressure
1 mm Hg at 293 °F (sublimes) (NTP, 1992);6.53e-06 mmHg;6.56X10-6 mm Hg at 25 °C (exptrapolated);Vapor pressure, Pa at 25 °C: 0.08;1 mmHg at 293°F (sublimes)
XLogP3
4.4
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