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33016-47-6 molecular structure
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1-(triphenylmethyl)-1H-imidazole-4-carbaldehyde

ChemBase ID: 64131
Molecular Formular: C23H18N2O
Molecular Mass: 338.40182
Monoisotopic Mass: 338.14191321
SMILES and InChIs

SMILES:
n1(C(c2ccccc2)(c2ccccc2)c2ccccc2)cnc(c1)C=O
Canonical SMILES:
O=Cc1ncn(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C23H18N2O/c26-17-22-16-25(18-24-22)23(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H
InChIKey:
YQYLLBSWWRWWAY-UHFFFAOYSA-N

Cite this record

CBID:64131 http://www.chembase.cn/molecule-64131.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(triphenylmethyl)-1H-imidazole-4-carbaldehyde
IUPAC Traditional name
1-(triphenylmethyl)imidazole-4-carbaldehyde
Synonyms
1-(Triphenylmethyl)imidazole-4-carboxaldehyde
1-Trityl-4-formylimidazole
1-Tritylimidazole-4-carboxaldehyde
4-Formyl-1-trityl-1H-imidazole
1-Trityl-1H-imidazole-4-carboxaldehyde 98%
1-Trityl-1H-imidazole-4-carboxaldehyde
1-tritylimidazole-4-carboxaldehyde
1-Trityl-1H-imidazole-4-carbaldehyde
1-三甲苯咪唑-4-甲醛
CAS Number
33016-47-6
MDL Number
MFCD02179554
PubChem SID
162029870
PubChem CID
618233

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.5679407  LogD (pH = 7.4) 5.6217127 
Log P 5.6224523  Molar Refractivity 105.1585 cm3
Polarizability 39.62391 Å3 Polar Surface Area 34.89 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
187-189°C expand Show data source
ca 192°C dec. expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant/Air Sensitive/Store under Argon expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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