2,3-Dimethylnaphthalene-1,4-Dione
[CAS# 2197-57-1]

Identification

• Name: 2,3-Dimethylnaphthalene-1,4-Dione
• Synonyms: 2,3-Dimethyl-1,4-Naphthoquinone; Zinc03063275; 4-07-00-02434 (Beilstein Handbook Reference)
• Molecular Formula: C₁₂H₁₀O₂
• Molecular Weight: 186.21
• CAS Registry Number: 2197-57-1
• SMILES: C1=CC=CC2=C1C(C(=C(C2=O)C)C)=O
• InChI: 1S/C12H10O2/c1-7-8(2)12(14)10-6-4-3-5-9(10)11(7)13/h3-6H,1-2H3
• InChIKey: LGFDNUSAWCHVJN-UHFFFAOYSA-N

Properties

• Density: 1.175g/cm³ (Cal.)
• Boiling point: 312.491°C at 760 mmHg (Cal.)
• Flash point: 116.926°C (Cal.)

References

• (1): Philip Prathipati, Ngai Ling Ma* and Thomas H. Keller. Global Bayesian Models for the Prioritization of Antitubercular Agents, J. Chem. Inf. Model., 2008, 48 (12), pp 2362–2370