Basic information
- CAS
70627-43-9- Standard SMILES
Cc1ccc([N+](=O)[O-])cc1N=Cc1ccc(OCc2ccccc2)cc1- InChIKey
TVZDRVMEWVLSBO-UHFFFAOYSA-N- Molecular formula
- C21H18N2O3
- Average molar mass
- 346.4 g/mol
- Monoisotopic mass
- 346.13174244
Overview
See also: N-(4-Benzyloxybenzylidene)-2-methyl-5-nitroaniline (annotation moved to).
Names & identifiers
- Preferred name
- n-{(e)-[4-(Benzyloxy)phenyl]methylene}-2-methyl-5-nitroaniline
- IUPAC
- N-(2-methyl-5-nitrophenyl)-1-(4-phenylmethoxyphenyl)methanimine
- English name
- N-[4-(benzyloxy)benzylidene]-2-methyl-5-nitroaniline
- Molecular formula
- C21H18N2O3
- Molecular weight
- 346.38
Names & synonyms
N-{(E)-[4-(benzyloxy)phenyl]methylidene}-2-methyl-5-nitroanilinen-{(e)-[4-(benzyloxy)phenyl]methylene}-2-methyl-5-nitroaniline70627-43-9DTXSID30355257STK061360AKOS000484386(E)-1-[4-(Benzyloxy)phenyl]-N-(2-methyl-5-nitrophenyl)methanimine1-[4-(BENZYLOXY)PHENYL]-N-(2-METHYL-5-NITROPHENYL)METHANIMINEN-[4-(benzyloxy)benzylidene]-2-methyl-5-nitroanilineBenzenamine, 2-methyl-5-nitro-N-[[4-(phenylmethoxy)phenyl]methylene]-
Database identifiers
- CAS
70627-43-9- PubChem CID
- 794889
- DTXSID
DTXSID30355257
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 462
Physicochemical properties
- Boiling point
- 533 · 533.0±50.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- pka
- 2.99 · 2.99±0.50(Predicted)
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410
- Precautionary statements
- 273 · P273-P391-P501
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)
- GHS09
- Hazard statements
- H410
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Suppliers1 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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