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1008-89-5 molecular structure
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2-phenylpyridine

ChemBase ID: 11735
Molecular Formular: C11H9N
Molecular Mass: 155.19586
Monoisotopic Mass: 155.07349929
SMILES and InChIs

SMILES:
c1c(cccc1)c1ccccn1
Canonical SMILES:
c1ccc(cc1)c1ccccn1
InChI:
InChI=1S/C11H9N/c1-2-6-10(7-3-1)11-8-4-5-9-12-11/h1-9H
InChIKey:
VQGHOUODWALEFC-UHFFFAOYSA-N

Cite this record

CBID:11735 http://www.chembase.cn/molecule-11735.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-phenylpyridine
IUPAC Traditional name
2-phenylpyridine
Synonyms
2-Azabiphenyl
2-Phenylpyridine
2-Phenylpyridine
2-苯基吡啶
CAS Number
1008-89-5
EC Number
213-763-1
MDL Number
MFCD00006280
Beilstein Number
110445
PubChem SID
24898402
160975042
PubChem CID
13887

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.754655  LogD (pH = 7.4) 2.7882028 
Log P 2.788649  Molar Refractivity 48.6653 cm3
Polarizability 20.54631 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
-5°C expand Show data source
Boiling Point
268-270 °C(lit.) expand Show data source
268-270°C expand Show data source
268-270°C expand Show data source
Flash Point
>110°C(230°F) expand Show data source
110 °C expand Show data source
230 °F expand Show data source
Density
1.086 expand Show data source
1.086 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.6230 expand Show data source
1.6240 expand Show data source
n20/D 1.623(lit.) expand Show data source
Storage Warning
IRRITANT, IRRITANT-HARMFUL expand Show data source
RTECS
UT7140900 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
36/38 expand Show data source
Safety Statements
26-37 expand Show data source
26-37/39 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319 expand Show data source
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P280-P305+P351+P338-P302+P352-P321-P362-P332+P313 expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
97% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C11H9N expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - P33402 external link
Packaging
10, 50 g in glass bottle
Application
Versatile synthetic intermediate.1

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • With terminal alkenes in the presence of Wilkinson's catalyst (Chlorotris(triphenylphosphine)rhodium(I), 10468), alkylation occurs in the benzene ring, to give mainly the 2-alkylphenyl derivative, together with some of the 2,6-dialkyl derivative: J. Chem. Soc., Perkin 1, 2201 (1996).
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PATENTS

PATENTS

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INTERNET

INTERNET

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