1,10-phenanthroline; dibromocopper

• ChemBase ID: 137581
• Molecular Formular: C12H8Br2CuN2
• Molecular Mass: 403.55932
• Monoisotopic Mass: 400.83501977
• SMILES: c1cc2ccc3cccnc3c2nc1.[Cu](Br)Br
• Canonical SMILES: c1ccc2c(n1)c1ncccc1cc2.Br[Cu]Br
• InChI: InChI=1S/C12H8N2.2BrH.Cu/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;/h1-8H;2*1H;/q;;;+2/p-2
• InChIKey: CJUHWXSXGSVTMY-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,10-phenanthroline; dibromocopper
• IUPAC Traditional name: dibromocopper; phen
• Synonyms: Dibromo(1,10-phenanthroline)copper(II); (1,10-菲咯啉)二溴化铜

Database IDs

• CAS Number: 19319-86-9
• MDL Number: MFCD00191993
• PubChem SID: 24863674; 162231843
• PubChem CID: 6099372

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

Physical Property

• Melting Point: 280 °C (dec.)(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H315-H319-H332-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Empirical Formula (Hill Notation): C12H10Br2CuN2