Home > Compound List > Compound details
34658-66-7 molecular structure
click picture or here to close

2-(4-bromophenyl)imidazo[1,2-a]pyridine

ChemBase ID: 142793
Molecular Formular: C13H9BrN2
Molecular Mass: 273.12796
Monoisotopic Mass: 271.9949103
SMILES and InChIs

SMILES:
c1ccn2cc(nc2c1)c1ccc(cc1)Br
Canonical SMILES:
Brc1ccc(cc1)c1nc2n(c1)cccc2
InChI:
InChI=1S/C13H9BrN2/c14-11-6-4-10(5-7-11)12-9-16-8-2-1-3-13(16)15-12/h1-9H
InChIKey:
GRZUOGFRIHABDK-UHFFFAOYSA-N

Cite this record

CBID:142793 http://www.chembase.cn/molecule-142793.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(4-bromophenyl)imidazo[1,2-a]pyridine
IUPAC Traditional name
2-(4-bromophenyl)imidazo[1,2-a]pyridine
Synonyms
2-(4-Bromophenyl)imidazo[1,2-a]pyridine
2-(4-溴苯基)咪唑并[1,2-a]吡啶
2-(4-溴苯基)咪唑[1,2-a]吡啶
CAS Number
34658-66-7
MDL Number
MFCD00218250
PubChem SID
162237019
24884390
PubChem CID
623416

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 623416 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.197373  LogD (pH = 7.4) 3.5539804 
Log P 3.5613778  Molar Refractivity 68.3234 cm3
Polarizability 26.889318 Å3 Polar Surface Area 17.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
216-220 °C 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
26-36/37/39 expand Show data source
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H315-H318-H335 expand Show data source
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P280-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, Gloves expand Show data source
Purity
97% expand Show data source
Linear Formula
C13H9BrN2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 658979 external link
Packaging
1, 5 g 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