2-Fluoro-6-(1-trityl-1H-imidazol-4-yl)benzaldehyde
Basic information
- CAS
1402838-09-8- Standard SMILES
O=Cc1c(F)cccc1-c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1- InChIKey
SRVOKSJOOBNPGR-UHFFFAOYSA-N- Molecular formula
- C29H21FN2O
- Average molar mass
- 432.5 g/mol
- Monoisotopic mass
- 432.16379146
Names & identifiers
- Preferred name
- 2-Fluoro-6-(1-trityl-1H-imidazol-4-yl)benzaldehyde
- IUPAC
- 2-fluoro-6-(1-tritylimidazol-4-yl)benzaldehyde
- English name
- 2-fluoro-6-(1-trityl-1H-imidazol-4-yl)benz aldehyde
- Molecular formula
- C29H21FN2O
- Molecular weight
- 432.49
Names & synonyms
1402838-09-82-Fluoro-6-(1-trityl-1H-imidazol-4-yl)benzaldehyde2-Fluoro-6-[1-(triphenylmethyl)-1H-imidazol-4-yl]benzaldehydeMFCD297653372-Fluoro-6-(1-trityl-4-imidazolyl)benzaldehyde2-fluoro-6-(1-tritylimidazol-4-yl)benzaldehydeBenzaldehyde, 2-fluoro-6-[1-(triphenylmethyl)-1H-imidazol-4-yl]-C29H21FN2O2-Fluoro-6-(1-trityl-1h-imidazol-4-yl)benz aldehydeSCHEMBL15498572SRVOKSJOOBNPGR-UHFFFAOYSA-NDTXSID801182285
Show more names
2-Fluoro-6-(1-triphenylmethyl-1H-Imidazole-4-yl)-benzaldehyde
CS-M3528EOS-61823AKOS027338376AC-30607CS-15089SY224493DB-2173572-fluoro-6-(1-trityl-1H-imidazol-4-yl)benz
Database identifiers
- CAS
1402838-09-8- PubChem CID
- 89989063
- DTXSID
DTXSID801182285
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 578
Physicochemical properties
- Boiling point
- 601.1 · 601.1±55.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- pka
- 4.65 · 4.65±0.12(Predicted)
- Appearance
- Off-white to yellow Solid
- InChI
- InChI=1S/C29H21FN2O/c30-27-18-10-17-25(26(27)20-33)28-19-32(21-31-28)29(22-11-4-1-5-12-22,23-13-6-2-7-14-23)24-15-8-3-9-16-24/h1-21H
- InChIKey
- SRVOKSJOOBNPGR-UHFFFAOYSA-N
- SMILES
- C(=O)C1=C(C2=CN(C(C3=CC=CC=C3)(C3=CC=CC=C3)C3=CC=CC=C3)C=N2)C=CC=C1F
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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