1,10-phenanthroline; dichlorocopper

• ChemBase ID: 147244
• Molecular Formular: C12H8Cl2CuN2
• Molecular Mass: 314.65732
• Monoisotopic Mass: 312.93605113
• SMILES: c1cc2ccc3cccnc3c2nc1.Cl[Cu]Cl
• Canonical SMILES: c1ccc2c(n1)c1ncccc1cc2.Cl[Cu]Cl
• InChI: InChI=1S/C12H8N2.2ClH.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: PHECBGBJCLDCMF-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,10-phenanthroline; dichlorocopper
• IUPAC Traditional name: copper chloride; phen
• Synonyms: Dichloro(1,10-phenanthroline)copper(II); 二氯(1,10-菲咯啉)铜(II)

Database IDs

• CAS Number: 14783-09-6
• MDL Number: MFCD00134224
• PubChem SID: 162241435; 24862297
• PubChem CID: 6100472

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: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-37/38-41
• Safety Statements: 26-39
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H315-H318-H335
• GHS Precautionary statements: P261-P280-P301 + P310-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C12H8Cl2CuN2

DETAILS

Sigma Aldrich - 362204

Packaging
1 g in glass bottle
Application
Catalyst for:
• Oxidative carbonylation of methanol1
• Cyclohexane and toluene oxidation2
• Selective oxidation of tetralin3