copper(2+) ion 1,10-phenanthroline dinitrate

• ChemBase ID: 137501
• Molecular Formular: C12H8CuN4O6
• Molecular Mass: 367.76112
• Monoisotopic Mass: 366.9739815
• SMILES: c1cc2ccc3cccnc3c2nc1.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Cu+2]
• Canonical SMILES: c1ccc2c(n1)c1ncccc1cc2.[O-][N+](=O)[O-].[O-][N+](=O)[O-].[Cu+2]
• InChI: InChI=1S/C12H8N2.Cu.2NO3/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;2*2-1(3)4/h1-8H;;;/q;+2;2*-1
• InChIKey: XOCNEEJNJTZFKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: copper(2+) ion 1,10-phenanthroline dinitrate
• IUPAC Traditional name: copper(2+) ion phen dinitrate
• Synonyms: Dinitrato(1,10-phenanthroline)copper(II); (1,10-亚铁试剂)二硝酸铜(II)

Database IDs

• CAS Number: 19319-88-1
• MDL Number: MFCD00192096
• PubChem SID: 162231763; 24863675
• PubChem CID: 15345279

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2141137
• LogD (pH = 7.4): 2.287525
• Log P: 2.2885551
• Molar Refractivity: 53.9006 cm^3
• Polarizability: 23.776546 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Oxidising (O); Harmful (Xn)
• UN Number: 1479
• German water hazard class: 3
• Hazard Class: 5.1
• Packing Group: 2
• Risk Statements: 8-20/21/22-36/37/38
• Safety Statements: 17-26-36/37/39
• GHS Pictograms: GHS03; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H272-H302-H312-H315-H319-H332-H335
• GHS Precautionary statements: P220-P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), 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
• RID/ADR: UN 1479 5.1/PG 2

Product Information

• Purity: 96%
• Empirical Formula (Hill Notation): C12H10CuN4O6