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Anthraquinone

Catalog Number
ACM84651
Product Name
Anthraquinone
Structure
CAS
84-65-1
Category
Small Molecule Semiconductor Building Blocks
Synonyms
9,10-Dioxoanthracene
Description
Anthraquinone appears as yellow crystals or powder. (NTP, 1992);DryPowder; WetSolid;LIGHT YELLOW CRYSTALS.
IUPAC Name
anthracene-9,10-dione
Molecular Weight
208.21
Molecular Formula
C14H8O2
Canonical SMILES
O=C1C2=C(C=CC=C2)C(=O)C2=C1C=CC=C2
InChI
InChI=1S/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H
InChI Key
RZVHIXYEVGDQDX-UHFFFAOYSA-N
Boiling Point
379-381 °C (lit.)
Melting Point
284-286 °C(lit.)
Flash Point
141.4±16.6 °C
Purity
96%
Density
1.3±0.1 g/cm3
Solubility
less than 1 mg/mL at 73° F (NTP, 1992);6.48e-06 M;0.44 g/100 g alc at 25 °C; 2.25 g/100 g boiling alc; 0.11 g/100 g ether at 25 °C; 0.61 g/100 g chloroform at 20 °C; 0.26 g/100 g benzene at 20 °C; 0.30 g/100 g toluene at 25 °C;SOL IN CONCN SULFURIC ACID;Soluble in acetone;In water, 1.353 mg/L at 25 °C;Solubility in water: very poor
Appearance
Powder
Storage
Powder-20°C, 3 years; 4°C, 2 years; In solvent-80°C, 6 months; -20°C, 1 month.
Color/Form
Light yellow, slender monoclinic prisms by sublimation in vacuo. Almost colorless, orthorhombic, bipyramidal crystals from sulfuric acid and water.;Yellow rhombic needles from alcohol, benzene;Yellow-green crystals
Complexity
261
Covalently-Bonded Unit Count
1
EC Number
201-549-0
Exact Mass
208.052429g/mol
Formal Charge
0
Heavy Atom Count
16
ICSC Number
1605
Log P
3.39 (LogP);log Kow = 3.39;3.39
MeSH Entry Terms
9,10-anthracenedione;9,10-anthraquinone;9,10-anthraquinone, radical ion (1-)
Monoisotopic Mass
208.052429g/mol
NSC Number
7957
Odor
Aromatic odor (technical)
Other Experimental
Vapor pressure = 1 mm Hg at 190.0 °C;Liquid Molar Volume = 0.193625 cu m/kmol; IG Heat of Formation = -9.52X10+7 J/kmol; Heat Fusion at Melting Point = 3.2552X10+7 J/kmol;Anthraquinone is sublimed easily without decomposition ... Anthraquinone dissolves in 90% sulfuric acid giving a yellow to orange solution, and in oleum (20% SO3), giving a red solution.;Henry's Law constant = 2.35X10-8 atm-cu m/mole at 25 °C (est);Hydroxyl radical reaction rate constant = 1.5X10-12 cu cm/molecule-sec at 25 °C (est)
Refractive Index
1.659
Rotatable Bond Count
0
RTECS Number
CB4725000
Stability
Stable to acids and alkalis.
UNII
030MS0JBDO
UN Number
3143
Vapor Density
7.16 (NTP, 1992) (Relative to Air);7.16 (Air = 1);Relative vapor density (air = 1): 7.16
Vapor Pressure
1 mm Hg at 374 °F (NTP, 1992);1.16e-07 mmHg;1.16X10-7 mm Hg at 25 °C;Vapor pressure at 20 °C: negligible
XLogP3
3.4
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