CAS 1008-88-4 3-Phenylpyridine (HCID 13886)

Substructure search Find similar structures

Basic information

CAS: 1008-88-4
Standard SMILES: c1ccc(-c2cccnc2)cc1
InChIKey: HJKGBRPNSJADMB-UHFFFAOYSA-N
Molecular formula: C11H9N
Average molar mass: 155.2 g/mol
Monoisotopic mass: 155.07349929

Names & identifiers

Preferred name: 3-Phenylpyridine
IUPAC: 3-phenylpyridine
English name: 3-Phenylpyridine
Molecular formula: C11H9N
Molecular weight: 155.2

Names & synonyms

3-PHENYLPYRIDINE1008-88-4Pyridine, 3-phenyl-EDZ6KB7JVCDTXSID0061404RefChem:95356DTXCID7032559213-762-63-Phenyl-pyridinem-PhenylpyridineMFCD000063805-phenylpyridine

Show more names

Phenylpyridine3-Azabiphenyl3-Phenylpridine3-pyridylbenzenePHENYLPYRIDINE(3-)3-Phenylpyridine>

3-PhenyIpyridineUNII-EDZ6KB7JVCss-Phenylpyridine3-phenyl pyridine3-(phenyl)pyridineEINECS 213-762-63-phenylpyridine, 333-Phenylpyridine, 97%

Database identifiers

CAS: 1008-88-4
PubChem CID: 13886
DTXSID: DTXSID0061404
ChEMBL: CHEMBL34657
UNII: EDZ6KB7JVC
EC Number: 213-762-6
Nikkaji: J45.969K

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 127

Experimental & physicochemical properties

Kovats Retention Index · 3 items

1423；1420；1426；1442

1470；1469；1465.4；1459.1；249；249.84；250.03

2293；2243；2200；2243；2247；2207；2216

Physicochemical properties

Melting point: 164 °C · 164°C
Boiling point: 269 · 269-270 °C/749 mmHg (lit.)
Density: 1.082 g/mL · 1.082 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.616(lit.)
Flash point: 230 °F · >230 °F
storage temp.: 30 °C · Store below +30°C.
solubility: Soluble in chloroform, dichloromethane and ethyl acetate.
pka: 4.85 · 4.85±0.10(Predicted)
form: Oil
color: Clear Colourless
Specific Gravity: 1.082 · 1.082
Water Solubility

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory InformationChemical: Pyridine, 3-phenyl-

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.8%)

Regulatory information

Regulatory InformationChemical: Pyridine, 3-phenyl-

Safety data

F: 10
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPyridine, 3-phenyl-: INACTIVE

Applications · 3 items

Uses3-Phenylpyridine is a useful synthetic intermediate. It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.

Uses3-Phenylpyridine can be a useful synthetic intermediate.

General Description3-Phenylpyridine forms complexes with gold(III), palladium(II) and platinum(II) chloride and their 1H, 13C and 15N nuclear magnetic resonance studies have been reported. Interactions of 3-phenylpyridine with copper surface has been investigated by Surface-enhanced Raman scattering (SERS) spectroscopy and cyclic voltammetry. It is a useful synthetic intermediate.