Home > Compound List > Compound details
67478-47-1 molecular structure
click picture or here to close

2-bromo-1-(triphenylmethyl)-1H-imidazole

ChemBase ID: 74722
Molecular Formular: C22H17BrN2
Molecular Mass: 389.28778
Monoisotopic Mass: 388.05751055
SMILES and InChIs

SMILES:
n1(C(c2ccccc2)(c2ccccc2)c2ccccc2)ccnc1Br
Canonical SMILES:
Brc1nccn1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C22H17BrN2/c23-21-24-16-17-25(21)22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H
InChIKey:
CSRUMYQPYPNDPR-UHFFFAOYSA-N

Cite this record

CBID:74722 http://www.chembase.cn/molecule-74722.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-1-(triphenylmethyl)-1H-imidazole
IUPAC Traditional name
2-bromo-1-(triphenylmethyl)imidazole
Synonyms
2-Bromo-1-trityl-1H-imidazole
2-Bromo-1-tritylimidazole
2-溴-1-三苯基咪唑
CAS Number
67478-47-1
MDL Number
MFCD02179528
PubChem SID
162039640
PubChem CID
618242

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 618242 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 6.269094  LogD (pH = 7.4) 6.2990756 
Log P 6.2994742  Molar Refractivity 106.5845 cm3
Polarizability 40.4228 Å3 Polar Surface Area 17.82 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
204-206°C expand Show data source
Storage Warning
Irritant expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P280G-P305+P351+P338 expand Show data source
Purity
97% expand Show data source
98% expand Show data source

DETAILS

DETAILS

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