2,6-bis(pyridin-2-yl)pyridine

• ChemBase ID: 76944
• Molecular Formular: C15H11N3
• Molecular Mass: 233.26794
• Monoisotopic Mass: 233.09529737
• SMILES: n1c(cccc1c1ncccc1)c1ncccc1
• Canonical SMILES: c1ccc(nc1)c1cccc(n1)c1ccccn1
• InChI: InChI=1S/C15H11N3/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13/h1-11H
• InChIKey: DRGAZIDRYFYHIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-bis(pyridin-2-yl)pyridine
• IUPAC Traditional name: terpyridine
• Synonyms: 2,6-Bis(2-pyridyl)pyridine; 2,2':6',2''-Terpyridine; 2,2':6',2''-Terpyridine; 2,6-Di(pyridin-2-yl)pyridine; 2,6-Di(2-pyridyl)pyridine; α,α′,α″-Tripyridyl; 2,2′:6′,2′′-Terpyridine; tripyridyl; Terpyridine; 2→2',6'→2''-Terpyridine; 2,2',2''-TRIPYRIDINE; 2,2':6',2''-三吡啶; α,α′,α″-三联吡啶; 2,2′:6′,2′′-三联吡啶

Database IDs

• CAS Number: 1148-79-4
• EC Number: 214-559-5
• MDL Number: MFCD00006213
• Beilstein Number: 11199
• PubChem SID: 24854052; 162041843; 24888690
• PubChem CID: 70848
• CHEBI ID: 245199
• CHEMBL: 89445
• Chemspider ID: 64012
• Wikipedia Title: Terpyridine

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.1556501
• LogD (pH = 7.4): 3.1580498
• Log P: 3.1580806
• Molar Refractivity: 68.3717 cm^3
• Polarizability: 29.727493 Å^3
• Polar Surface Area: 38.67 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: dioxane: soluble0.1 g/mL, clear
• Apperance: colourless solid
• Melting Point: 88 °C; 88-89°C; 89-91 °C(lit.); 89-92°C; 89-92°C; 90-93 °C
• Boiling Point: 370 °C; 370°C

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Very Toxic/Irritant/Store under Argon
• European Hazard Symbols: Highly toxic (T+)
• UN Number: 2811; UN2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 1; I
• Risk Statements: 27/28-36/37/38; 27/28-37/38-41
• Safety Statements: 26-27/28-36/37-45; 26-28-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H300-H310-H315-H318-H335; H300-H310-H315-H319-H335
• GHS Precautionary statements: P261-P264-P280-P302 + P350-P305 + P351 + P338-P310; P261-P301+P310-P305+P351+P338-P361-P405-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, 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 2811 6.1/PG 1

Product Information

• Purity: ≥98.5%; ≥98.5% (GC); 97%; 98%
• Cation Traces: Ag: ≤5 mg/kg; Ba: ≤5 mg/kg; Ca: ≤5 mg/kg; Cd: ≤5 mg/kg; Co: ≤5 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Fe: ≤5 mg/kg; K: ≤5 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Na: ≤5 mg/kg; Ni: ≤5 mg/kg; Pb: ≤5 mg/kg; Zn: ≤5 mg/kg
• Quality: for spectrophotometric det. of Ag, Fe, Ru
• Empirical Formula (Hill Notation): C15H11N3

DETAILS

Sigma Aldrich - 86490

Other Notes
Reagent for the spectrophotometric det. of Ag and Ru1,2

Sigma Aldrich - 234672

Packaging
1, 5 g in glass bottle
250 mg in glass bottle