9,10-dihydroanthracene-9,10-dione

• ChemBase ID: 125882
• Molecular Formular: C14H8O2
• Molecular Mass: 208.21212
• Monoisotopic Mass: 208.0524295
• SMILES: O=C1c2ccccc2C(=O)c2ccccc12
• Canonical SMILES: O=C1c2ccccc2C(=O)c2c1cccc2
• 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
• InChIKey: RZVHIXYEVGDQDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9,10-dihydroanthracene-9,10-dione
• IUPAC Traditional name: anthraquinone
• Synonyms: Anthraquinone; Melting point standard 283-286°C; Anthraquinone; Anthracene-9,10-dione; 9,10-anthracenedione; anthradione; 9,10-anthrachinoe; anthracene-9,10-quinone; 9,10-dihydro-9,10-dioxoanthracene; Hoelite; Morkie; Corbit; Anthraquinone; 9,10-Anthraquinone; 9,10-dihydro-9,10-dioxoanthracene; 9,10-dioxoanthracene; 蒽醌; 熔点标准品 283-286°C; 蒽醌; 9,10-蒽醌

Database IDs

• CAS Number: 84-65-1
• EC Number: 201-549-0
• MDL Number: MFCD00001188
• Beilstein Number: 390030
• Merck Index: 14687
• PubChem SID: 162220227; 24891393; 24899312; 24868782
• PubChem CID: 6780
• CHEMBL: 55659
• Chemspider ID: 6522
• KEGG ID: C16207
• Wikipedia Title: Anthraquinone

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.9187062
• LogD (pH = 7.4): 2.9187062
• Log P: 2.9187062
• Molar Refractivity: 61.151 cm^3
• Polarizability: 23.31048 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Insoluble in water
• Apperance: yellow solid
• Melting Point: 283-286 °C; 283-286 °C (±0.3°C); 283-287 °C; 283-287°C; 284-286 °C(lit.); 286 °C
• Boiling Point: 377°C; 379.8 °C; 379-381 °C(lit.)
• Flash Point: 185 °C; 185°C; 185°C(365°F); 365 °F
• Density: 1.308g/cm3; 1.438
• Vapor Pressure: 1 mmHg ( 190 °C)
• Vapor Density: 7.16 (vs air)

Safety Information

• RTECS: CB4725000
• European Hazard Symbols: X; Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 40-43; 43; R36/37/38
• Safety Statements: 24-36/37; 36/37
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H317; H351-H317
• GHS Precautionary statements: P261-P280-P302+P352-P321-P405-P501A; P280
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: ≥99.0% (HPLC); 95+%; 97%; 98%; 98+%
• Grade: analytical standard; PESTANAL®, analytical standard; puriss.; purum
• Packaging: ampule of 1000 mg
• Shelf Life: (limited shelf life, expiry date on the label)
• Empirical Formula (Hill Notation): C14H8O2

DETAILS

Sigma Aldrich - A90004

Packaging
50, 250 g in poly bottle

Sigma Aldrich - 31466

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH