4-[2-(pyridin-4-yl)diazen-1-yl]pyridine

• ChemBase ID: 141786
• Molecular Formular: C10H8N4
• Molecular Mass: 184.19732
• Monoisotopic Mass: 184.07489628
• SMILES: c1cnccc1/N=N/c1ccncc1
• Canonical SMILES: n1ccc(cc1)/N=N/c1ccncc1
• InChI: InChI=1S/C10H8N4/c1-5-11-6-2-9(1)13-14-10-3-7-12-8-4-10/h1-8H
• InChIKey: XUPMSLUFFIXCDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(pyridin-4-yl)diazen-1-yl]pyridine
• IUPAC Traditional name: 4-[2-(pyridin-4-yl)diazen-1-yl]pyridine
• Synonyms: Azobis(4-pyridine); 4,4′-Azopyridine; 4,4′-偶氮吡啶

Database IDs

• CAS Number: 2632-99-7
• MDL Number: MFCD00129061
• PubChem SID: 162236020
• PubChem CID: 238589

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9232794
• LogD (pH = 7.4): 1.9435326
• Log P: 1.9437946
• Molar Refractivity: 56.0632 cm^3
• Polarizability: 19.764166 Å^3
• Polar Surface Area: 50.5 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 96-101 °C

Safety Information

• European Hazard Symbols: Harmful (Xn)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301 + P310-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• RID/ADR: UN 2811 6.1/PG 3

Product Information

• Empirical Formula (Hill Notation): C10H8N4

DETAILS

Sigma Aldrich - 705055

Packaging
1, 5 g in glass bottle
Application
Reactant for preparation of:
• Flexible porous coordination polymers constructed from 1,2-bis(4-pyridyl)hydrazine via solvothermal in situ reduction reaction1
• Metal-organic frameworks based on transition-metal carboxylate clusters as secondary building units2
• Heteroaromatic azo compounds under Mitsunobu conditions3
• MnII, CoII, and ZnII coordination polymers4
• Low-dimensional and porous coordination compounds capable of supramolecular aromatic interactions5Reagent in:
• Facile Mitsunobu esterification reactions6