5-nitro-1,10-phenanthroline

• ChemBase ID: 104427
• Molecular Formular: C12H7N3O2
• Molecular Mass: 225.20288
• Monoisotopic Mass: 225.05382648
• SMILES: [O-][N+](=O)c1cc2cccnc2c2ncccc12
• Canonical SMILES: [O-][N+](=O)c1cc2cccnc2c2c1cccn2
• InChI: InChI=1S/C12H7N3O2/c16-15(17)10-7-8-3-1-5-13-11(8)12-9(10)4-2-6-14-12/h1-7H
• InChIKey: PDDBTWXLNJNICS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-nitro-1,10-phenanthroline
• IUPAC Traditional name: 1,10-phenanthroline, 5-nitro-
• Synonyms: 5-Nitro-1,10-phenanthroline; 5-NITRO-1,10-PHENANTHROLINE; 5-硝基-1,10-邻二氮杂菲

Database IDs

• CAS Number: 4199-88-6
• EC Number: 224-097-6
• MDL Number: MFCD00004981
• Beilstein Number: 196245
• PubChem SID: 162092215
• PubChem CID: 72790

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.2284591
• LogD (pH = 7.4): 2.2285383
• Log P: 2.2285392
• Molar Refractivity: 60.2211 cm^3
• Polarizability: 25.447826 Å^3
• Polar Surface Area: 68.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 202-204°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 98%

DETAILS

MP Biomedicals - 02155889

(Nitroferroin) Yellow crystals.

MP Biomedicals - 05216383

MP Biomedicals Rare Chemical collection

REFERENCES

• Redox indicator; reagent for rare earth metals.