3-phenylpyridine

• ChemBase ID: 39573
• Molecular Formular: C11H9N
• Molecular Mass: 155.19586
• Monoisotopic Mass: 155.07349929
• SMILES: c1(cnccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)c1cccnc1
• InChI: InChI=1S/C11H9N/c1-2-5-10(6-3-1)11-7-4-8-12-9-11/h1-9H
• InChIKey: HJKGBRPNSJADMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-phenylpyridine
• IUPAC Traditional name: 3-phenylpyridine
• Synonyms: 3-Phenylpyridine; 3-Phenylpyridine; m-Phenylpyridine; β-Phenylpyridine; 3-Azabiphenyl; 3-Pyridylbenzene; 3-苯基吡啶

Database IDs

• CAS Number: 1008-88-4
• EC Number: 213-762-6
• MDL Number: MFCD00006380
• Beilstein Number: 110400
• PubChem SID: 24852590; 161002880
• PubChem CID: 13886

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.3426812
• LogD (pH = 7.4): 2.401974
• Log P: 2.4027987
• Molar Refractivity: 49.0373 cm^3
• Polarizability: 20.544394 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Ethyl Acetate
• Apperance: Colourless Oil
• Boiling Point: 117-118°C; 269-270 °C/749 mmHg(lit.); 272°C; 272°C
• Flash Point: >110°C(230°F); 110 °C; 230 °F
• Density: 1.082 g/mL at 25 °C(lit.); 1.085
• Refractive Index: 1.6160; n20/D 1.616(lit.); n20/D 1.619

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: true; 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥97.0% (GC); 97%; 98%
• Grade: purum
• Empirical Formula (Hill Notation): C11H9N

DETAILS

Sigma Aldrich - 209732

Application
Useful synthetic intermediate.
Packaging
5 g in glass bottle

Toronto Research Chemicals - P336500

A useful synthetic intermediate.

REFERENCES

• Rapoport, H. et al.: JACS, 74, 6293-6294 (1952)