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128143-89-5 molecular structure
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4-chloro-2,6-bis(pyridin-2-yl)pyridine

ChemBase ID: 91222
Molecular Formular: C15H10ClN3
Molecular Mass: 267.713
Monoisotopic Mass: 267.05632502
SMILES and InChIs

SMILES:
n1c(cc(cc1c1ncccc1)Cl)c1ccccn1
Canonical SMILES:
Clc1cc(nc(c1)c1ccccn1)c1ccccn1
InChI:
InChI=1S/C15H10ClN3/c16-11-9-14(12-5-1-3-7-17-12)19-15(10-11)13-6-2-4-8-18-13/h1-10H
InChIKey:
AHEMFMCEBIJRMU-UHFFFAOYSA-N

Cite this record

CBID:91222 http://www.chembase.cn/molecule-91222.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloro-2,6-bis(pyridin-2-yl)pyridine
IUPAC Traditional name
4-chloro-2,6-bis(pyridin-2-yl)pyridine
Synonyms
4′-Chloro-2,2′:6′,2′′-terpyridine
4'-Chloro-2,2':6',2"-terpyridine
4'-Chloro-2,2':6',2''-terpyridine
4′-氯-2,2′:6′,2′′-三联吡啶
4'-氯-2,2':6',2''-三联吡啶
CAS Number
128143-89-5
EC Number
000-000-0
MDL Number
MFCD00191930
Beilstein Number
3613386
PubChem SID
162077926
24865338
PubChem CID
667748

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 667748 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.7600453  LogD (pH = 7.4) 3.762099 
Log P 3.7621253  Molar Refractivity 73.1765 cm3
Polarizability 31.487848 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)
Melting Point
148-150 °C(lit.) expand Show data source
148-150°C expand Show data source
148-152°C expand Show data source
Storage Warning
Harmful/Irritant expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22-37/38-41 expand Show data source
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
26-39 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS06 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301-H315-H318-H335 expand Show data source
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P280-P301 + P310-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves expand Show data source
Purity
98% expand Show data source
99% expand Show data source
Empirical Formula (Hill Notation)
C15H10ClN3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 405868 external link
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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