Home > Compound List > Compound details
1148-79-4 molecular structure
click picture or here to close

2,6-bis(pyridin-2-yl)pyridine

ChemBase ID: 76944
Molecular Formular: C15H11N3
Molecular Mass: 233.26794
Monoisotopic Mass: 233.09529737
SMILES and InChIs

SMILES:
n1c(cccc1c1ncccc1)c1ncccc1
Canonical SMILES:
c1ccc(nc1)c1cccc(n1)c1ccccn1
InChI:
InChI=1S/C15H11N3/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13/h1-11H
InChIKey:
DRGAZIDRYFYHIJ-UHFFFAOYSA-N

Cite this record

CBID:76944 http://www.chembase.cn/molecule-76944.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,6-bis(pyridin-2-yl)pyridine
IUPAC Traditional name
terpyridine
Synonyms
2,2':6',2''-Terpyridine
2,6-Di(pyridin-2-yl)pyridine
2→2',6'→2''-Terpyridine
2,2',2''-TRIPYRIDINE
2,6-Di(2-pyridyl)pyridine
α,α′,α″-Tripyridyl
2,2′:6′,2′′-Terpyridine
2,6-Bis(2-pyridyl)pyridine
2,2':6',2''-Terpyridine
tripyridyl
Terpyridine
α,α′,α″-三联吡啶
2,2′:6′,2′′-三联吡啶
2,2':6',2''-三吡啶
CAS Number
1148-79-4
EC Number
214-559-5
MDL Number
MFCD00006213
Beilstein Number
11199
PubChem SID
24854052
162041843
24888690
PubChem CID
70848
CHEBI ID
245199
CHEMBL
89445
Chemspider ID
64012
Wikipedia Title
Terpyridine

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.1556501  LogD (pH = 7.4) 3.1580498 
Log P 3.1580806  Molar Refractivity 68.3717 cm3
Polarizability 29.727493 Å3 Polar Surface Area 38.67 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
dioxane: soluble0.1 g/mL, clear expand Show data source
Apperance
colourless solid expand Show data source
Melting Point
88 °C expand Show data source
88-89°C expand Show data source
89-91 °C(lit.) expand Show data source
89-92°C expand Show data source
89-92°C expand Show data source
90-93 °C expand Show data source
Boiling Point
370 °C expand Show data source
370°C expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
Storage Warning
Very Toxic/Irritant/Store under Argon expand Show data source
European Hazard Symbols
Highly toxic Highly toxic (T+) expand Show data source
UN Number
2811 expand Show data source
UN2811 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
1 expand Show data source
I expand Show data source
Risk Statements
27/28-36/37/38 expand Show data source
27/28-37/38-41 expand Show data source
Safety Statements
26-27/28-36/37-45 expand Show data source
26-28-36/37/39-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H300-H310-H315-H318-H335 expand Show data source
H300-H310-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P264-P280-P302 + P350-P305 + P351 + P338-P310 expand Show data source
P261-P301+P310-P305+P351+P338-P361-P405-P501A expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 2811 6.1/PG 1 expand Show data source
Purity
≥98.5% expand Show data source
≥98.5% (GC) expand Show data source
97% expand Show data source
98% expand Show data source
Certificate of Analysis
Download expand Show data source
Cation Traces
Ag: ≤5 mg/kg expand Show data source
Ba: ≤5 mg/kg expand Show data source
Ca: ≤5 mg/kg expand Show data source
Cd: ≤5 mg/kg expand Show data source
Co: ≤5 mg/kg expand Show data source
Cr: ≤5 mg/kg expand Show data source
Cu: ≤5 mg/kg expand Show data source
Fe: ≤5 mg/kg expand Show data source
K: ≤5 mg/kg expand Show data source
Mg: ≤5 mg/kg expand Show data source
Mn: ≤5 mg/kg expand Show data source
Na: ≤5 mg/kg expand Show data source
Ni: ≤5 mg/kg expand Show data source
Pb: ≤5 mg/kg expand Show data source
Zn: ≤5 mg/kg expand Show data source
Quality
for spectrophotometric det. of Ag, Fe, Ru expand Show data source
Empirical Formula (Hill Notation)
C15H11N3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich Wikipedia Wikipedia
Sigma Aldrich - 86490 external link
Other Notes
Reagent for the spectrophotometric det. of Ag and Ru1,2
Sigma Aldrich - 234672 external link
Packaging
1, 5 g in glass bottle
250 mg in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle