benzo[c]cinnoline

• ChemBase ID: 93029
• Molecular Formular: C12H8N2
• Molecular Mass: 180.20532
• Monoisotopic Mass: 180.06874827
• SMILES: n1nc2ccccc2c2ccccc12
• Canonical SMILES: c1ccc2c(c1)c1ccccc1nn2
• InChI: InChI=1S/C12H8N2/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)14-13-11/h1-8H
• InChIKey: SWJXWSAKHXBQSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzo[c]cinnoline
• IUPAC Traditional name: benzo(c)cinnoline
• Synonyms: Benzo[c]cinnoline; Benzo[c]cinnoline; 2,2'-AZOBIPHENYL; Diphenylenazone; phenazone; 9,10-diazaphenanthrene; 2,2'-azobiphenyl; 3,4-benzocinnoline; 5,6-phenanthroline; Benzo(c)cinnoline; 苯并[c]噌啉

Database IDs

• CAS Number: 230-17-1; 34524-78-2
• EC Number: 205-936-5
• MDL Number: MFCD00004990
• Beilstein Number: 126519
• PubChem SID: 162079727
• PubChem CID: 9190
• Wikipedia Title: Benzo(c)cinnoline

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5263183
• LogD (pH = 7.4): 2.5264559
• Log P: 2.5264575
• Molar Refractivity: 55.9208 cm^3
• Polarizability: 23.784994 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 156-160°C; 157-159°C

Safety Information

• Storage Warning: Irritant
• TSCA Listed: 否

Product Information

• Purity: 99%

DETAILS

MP Biomedicals - 05205932

MP Biomedicals Rare Chemical collection

REFERENCES

• For a review of the chemistry of benzo[c]cinnolines, see: Adv. Het. Chem., 24, 152 (1979).