4,7-dimethoxy-1,10-phenanthroline

• ChemBase ID: 68083
• Molecular Formular: C14H12N2O2
• Molecular Mass: 240.25728
• Monoisotopic Mass: 240.08987763
• SMILES: c12c(ccc3c(ccnc13)OC)c(ccn2)OC
• Canonical SMILES: COc1ccnc2c1ccc1c2nccc1OC
• InChI: InChI=1S/C14H12N2O2/c1-17-11-5-7-15-13-9(11)3-4-10-12(18-2)6-8-16-14(10)13/h3-8H,1-2H3
• InChIKey: ZPGVCQYKXIQWTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,7-dimethoxy-1,10-phenanthroline
• IUPAC Traditional name: 4,7-dimethoxy-1,10-phenanthroline
• Synonyms: 4,7-Dimethoxy-1,10-phenanthroline; 4,7-Dimethoxy-1,10-phenanthroline; 4,7-二甲氧基-1,10-菲咯啉

Database IDs

• CAS Number: 92149-07-0
• MDL Number: MFCD00233883
• PubChem SID: 162033815; 24885413
• PubChem CID: 10462298

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.949798
• LogD (pH = 7.4): 1.9729091
• Log P: 1.9732126
• Molar Refractivity: 66.827 cm^3
• Polarizability: 28.65856 Å^3
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 197-212 °C

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 3077
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 22-41-50
• Safety Statements: 26-39-61
• TSCA Listed: false
• GHS Pictograms: GHS05; GHS07; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H318-H400
• GHS Precautionary statements: P273-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 3077 9/PG 3

Product Information

• Purity: 95+%; 97%
• Empirical Formula (Hill Notation): C14H12N2O2

DETAILS

Sigma Aldrich - 678023

Application
Ligand for Cu-catalzyed N-arylation of imidazoles1,2
Packaging
1 g in glass bottle
250 mg in glass bottle