2-amino-9,10-dihydroanthracene-9,10-dione

• ChemBase ID: 108704
• Molecular Formular: C14H9NO2
• Molecular Mass: 223.22676
• Monoisotopic Mass: 223.06332853
• SMILES: Nc1ccc2C(=O)c3c(cccc3)C(=O)c2c1
• Canonical SMILES: Nc1ccc2c(c1)C(=O)c1c(C2=O)cccc1
• InChI: InChI=1S/C14H9NO2/c15-8-5-6-11-12(7-8)14(17)10-4-2-1-3-9(10)13(11)16/h1-7H,15H2
• InChIKey: XOGPDSATLSAZEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-9,10-dihydroanthracene-9,10-dione
• IUPAC Traditional name: aminoanthraquinone
• Synonyms: 2-AMINOANTHRAQUINONE TECHNICAL GRADE; 2-aminoanthracene-9,10-dione; 2-Aminoanthraquinone; 2-Aminoanthraquinone; 2-氨基蒽醌

Database IDs

• CAS Number: 117-79-3
• EC Number: 204-208-4
• MDL Number: MFCD00001233
• Beilstein Number: 745903
• PubChem SID: 162094447; 24850139
• PubChem CID: 8341

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.08963
• LogD (pH = 7.4): 2.0897782
• Log P: 2.08978
• Molar Refractivity: 65.8514 cm^3
• Polarizability: 24.442265 Å^3
• Polar Surface Area: 60.16 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 292-295 °C (dec.)(lit.); ca 293°C dec.
• Flash Point: 283 °C; 283°C(541°F); 541.4 °F

Safety Information

• RTECS: CB5120000
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 40
• Safety Statements: 36/37; 36/37/39
• TSCA Listed: 是
• GHS Pictograms: GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H351
• GHS Precautionary statements: P280H; P281
• Personal Protective Equipment: Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges

Product Information

• Purity: 95+%; tech. 90%
• Grade: TECHNICAL; technical grade
• Empirical Formula (Hill Notation): C14H9NO2

DETAILS

MP Biomedicals - 05208389

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 165549

Packaging
100, 500 g in poly bottle