Anthraquinone

• CAS: 84-65-1
• Catalog Number: ACM84651
• Category: Inhibitors
• Molecular Weight: 208.21
• Molecular Formula: C14H8O2
• Description: Anthraquinone appears as yellow crystals or powder. (NTP, 1992);DryPowder; WetSolid;LIGHT YELLOW CRYSTALS.
• Synonyms: 9,10-Dioxoanthracene
• IUPAC Name: anthracene-9,10-dione
• 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
• 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.
• Autoignition Temperature: 650 °C;650 °C
• 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
• Decomposition: When heated to decomposition it emits acrid smoke and irritating fumes.
• EC Number: 201-549-0
• Exact Mass: 208.052429g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Heavy Atom Count: 16
• ICSC Number: 1605
• LogP: 3.39 (LogP);log Kow = 3.39;3.39
• 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
• Shipping: Can be shipped at room temperature, where not in use may vary.
• Source: PlantsLeguminosaeseeds of Cassia tora Linn.Plantsother families
• 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