4-[2-(pyridin-4-yl)ethenyl]pyridine

• ChemBase ID: 109785
• Molecular Formular: C12H10N2
• Molecular Mass: 182.2212
• Monoisotopic Mass: 182.08439833
• SMILES: c1cc(ccn1)/C=C/c1ccncc1
• Canonical SMILES: n1ccc(cc1)/C=C/c1ccncc1
• InChI: InChI=1S/C12H10N2/c1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12/h1-10H
• InChIKey: MGFJDEHFNMWYBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(pyridin-4-yl)ethenyl]pyridine
• IUPAC Traditional name: 4-[2-(pyridin-4-yl)ethenyl]pyridine
• Synonyms: 1,2-bis(4-PYRIDYL)ETHYLENE; 1,2-Bis(4-pyridyl)ethylene; 4,4′-Vinylenedipyridine; 1,2-Di(4-pyridyl)ethylene; 1,2-双(4-吡啶)乙烯; 4,4′-乙烯基二吡啶; 1,2-二(4-吡啶基)乙烯

Database IDs

• CAS Number: 13362-78-2
• EC Number: 236-432-3
• MDL Number: MFCD00006448
• Beilstein Number: 3865
• PubChem SID: 162089243; 24891831
• PubChem CID: 776222

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5132538
• LogD (pH = 7.4): 1.8716944
• Log P: 1.877742
• Molar Refractivity: 57.199 cm^3
• Polarizability: 21.75191 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 148-152 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C12H10N2

DETAILS

MP Biomedicals - 05212576

MP Biomedicals Rare Chemical collection

Sigma Aldrich - B52808

Packaging
10, 50 g in poly bottle
5 g in glass bottle