4-phenylpyridine

• ChemBase ID: 39574
• Molecular Formular: C11H9N
• Molecular Mass: 155.19586
• Monoisotopic Mass: 155.07349929
• SMILES: c1c(cccc1)c1ccncc1
• Canonical SMILES: c1ccc(cc1)c1ccncc1
• InChI: InChI=1S/C11H9N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-9H
• InChIKey: JVZRCNQLWOELDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-phenylpyridine
• IUPAC Traditional name: 4-phenylpyridine
• Synonyms: NSC 70375; NSC 77935; p-Phenylpyridine; γ-Phenylpyridine; 4-Phenylpyridine; 4-Phenylpyridine; 4-苯基吡啶

Database IDs

• CAS Number: 939-23-1
• EC Number: 213-357-4
• MDL Number: MFCD00006420
• Beilstein Number: 110490
• PubChem SID: 161002881; 24898403; 24887406
• PubChem CID: 13651

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.279627
• LogD (pH = 7.4): 2.4009402
• Log P: 2.4027987
• Molar Refractivity: 49.0373 cm^3
• Polarizability: 20.54196 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Methanol
• Apperance: Off-White Solid
• Melting Point: 69-73 °C; 69-73 °C(lit.); 69-73°C; 75-77°C
• Boiling Point: 274-275 °C(lit.); 274-275°C

Safety Information

• Storage Condition: Refrigerator
• Storage Warning: IRRITANT
• RTECS: UT7141000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• TSCA Listed: false
• 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

Pharmacology Properties

• Gene Information: human ... MMP3(4314)

Product Information

• Purity: >93%; ≥98.0% (NT); 97%; 98%
• Grade: purum
• Empirical Formula (Hill Notation): C11H9N

DETAILS

MP Biomedicals - 02156202

Purity: >93%

Sigma Aldrich - P33429

Packaging
25 g in poly bottle
5 g in glass bottle

Toronto Research Chemicals - P336505

4-Phenylpyridine is a useful synthetic intermediate. 4-Phenylpyridine has been shown to induce inhibition of mitochondrial respiration in mice.

REFERENCES

• Aiuchi, T. et al.: Neurochem. Int., 12, 525 (1988)
• Rapoport, H. et al.: JACS, 74, 6293-6294 (1988)
• Hoppel, C. et al.: Biochem. Biophys. Res. Comm., 148, 684 (1988)