3,4,7,8-tetramethyl-1,10-phenanthroline

• ChemBase ID: 147770
• Molecular Formular: C16H16N2
• Molecular Mass: 236.31164
• Monoisotopic Mass: 236.13134852
• SMILES: Cc1cnc2c(c1C)ccc1c2ncc(c1C)C
• Canonical SMILES: Cc1c(C)cnc2c1ccc1c2ncc(c1C)C
• InChI: InChI=1S/C16H16N2/c1-9-7-17-15-13(11(9)3)5-6-14-12(4)10(2)8-18-16(14)15/h5-8H,1-4H3
• InChIKey: NPAXPTHCUCUHPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4,7,8-tetramethyl-1,10-phenanthroline
• IUPAC Traditional name: 3,4,7,8-tetramethyl-1,10-phenanthroline
• Synonyms: 3,4,7,8-Tetramethyl-1,10-phenanthroline; 3,4,7,8-四甲基-1,10-菲罗啉; 3,4,7,8-四甲基-1,10-邻二氮杂菲

Database IDs

• CAS Number: 1660-93-1
• EC Number: 216-762-4
• MDL Number: MFCD00004974
• Beilstein Number: 171279
• PubChem SID: 24850010; 162241953
• PubChem CID: 74265

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.7401514
• LogD (pH = 7.4): 4.3235493
• Log P: 4.342241
• Molar Refractivity: 74.0654 cm^3
• Polarizability: 30.808207 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 277-280 °C(lit.); ca 280°C dec.

Safety Information

• German water hazard class: 3
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥99%; 98+%
• Empirical Formula (Hill Notation): C16H16N2

DETAILS

Sigma Aldrich - 162884

Application
Metal-chelating agent
Packaging
1 g in glass bottle