4-(pyridin-4-yl)pyridine

• ChemBase ID: 85710
• Molecular Formular: C10H8N2
• Molecular Mass: 156.18392
• Monoisotopic Mass: 156.06874827
• SMILES: n1ccc(cc1)c1ccncc1
• Canonical SMILES: n1ccc(cc1)c1ccncc1
• InChI: InChI=1S/C10H8N2/c1-5-11-6-2-9(1)10-3-7-12-8-4-10/h1-8H
• InChIKey: MWVTWFVJZLCBMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(pyridin-4-yl)pyridine
• IUPAC Traditional name: bipyridine
• Synonyms: 4,4′-Bipyridine; 4,4′-Bipyridyl; 4,4′-Dipyridyl; 4,4′-Bipyridyl; 4,4'-Bipyridyl; 4,4'-Dipyridyl; 4,4'-Bipyridine; 4,4'-Bipyridinyl; 4,4'-Bipyridine; 4-(pyridin-4-yl)pyridine; 4,4′-无水联吡啶; 4,4′-联吡啶; 4,4′-联吡啶; 4,4'-联吡啶

Database IDs

• CAS Number: 553-26-4
• EC Number: 209-036-3
• MDL Number: MFCD00006416
• Beilstein Number: 113176
• Merck Index: 143348
• PubChem SID: 24848667; 162072826; 24857197; 24862722
• PubChem CID: 11107
• Chemspider ID: 10636
• Wikipedia Title: 4,4'-Bipyridine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.0022879
• LogD (pH = 7.4): 1.1823698
• Log P: 1.1851263
• Molar Refractivity: 46.8804 cm^3
• Polarizability: 19.566391 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 109-112 °C; 109-112 °C(lit.); 111-114°C; 70 - 74°C
• Boiling Point: 304-305°C; 305 °C(lit.)
• Hydrophobicity(logP): 1.144

Safety Information

• Storage Warning: Hygroscopic; Irritant
• RTECS: DW1760000
• European Hazard Symbols: Toxic (T)
• UN Number: 2811; UN2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3; III
• Risk Statements: 21-25; 25-36/37/38
• Safety Statements: 26-36/37/39-45; 36/37-45
• TSCA Listed: 是
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H311; H301-H315-H319-H335
• GHS Precautionary statements: P261-P301 + P310-P305 + P351 + P338; P280-P301+P310-P361-P302+P352-P405-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 3

Product Information

• Purity: ≥99.0% (NT); 95%; 98%
• Grade: PESTANAL®, analytical standard; purum
• Impurities: ≤1% water
• Quality: anhydrous
• Empirical Formula (Hill Notation): C10H8N2

DETAILS

Sigma Aldrich - 289426

Packaging
5, 25 g in glass bottle

Sigma Aldrich - 36690

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

REFERENCES

• For reaction with p-Xylylene dibromide, A13939, in synthesis of a self-assembling [2]catenane and template directed synthesis of a rigid tetra-cationic cyclophane receptor, see: Synlett, 459, 462 (1991).