Basic information
- CAS
58470-12-5- Standard SMILES
CCCOc1cc(OCCC)c(C=Nc2cc([N+](=O)[O-])ccc2O)c(OCCC)c1- InChIKey
QNFLOJLBFREGQP-UHFFFAOYSA-N- Molecular formula
- C22H28N2O6
- Average molar mass
- 416.5 g/mol
- Monoisotopic mass
- 416.19473662
Names & identifiers
- Preferred name
- 4-Nitro-2-(((2,4,6-tripropoxyphenyl)methylene)amino)phenol
- IUPAC
- 4-nitro-2-[(2,4,6-tripropoxyphenyl)methylideneamino]phenol
- English name
- 4-nitro-2-[[(2,4,6-tripropoxyphenyl)methylene]amino]phenol
- Molecular formula
- C22H28N2O6
- Molecular weight
- 416.47
Names & synonyms
EINECS 261-267-94-Nitro-2-(((2,4,6-tripropoxyphenyl)methylene)amino)phenolPhenol, 4-nitro-2-[[(2,4,6-tripropoxyphenyl)methylene]amino]-DTXSID50692534-Nitro-2-[[(2,4,6-tripropoxyphenyl)methylene]amino]phenolPhenol, 4-nitro-2-(((2,4,6-tripropoxyphenyl)methylene)amino)-RefChem:294994DTXCID4042389261-267-958470-12-5QNFLOJLBFREGQP-UHFFFAOYSA-N4-NITRO-2-{[(2,4,6-TRIPROPOXYPHENYL)METHYLIDENE]AMINO}PHENOL
Show more names
DB-316683NS00033934
Database identifiers
- CAS
58470-12-5- PubChem CID
- 94063
- DTXSID
DTXSID5069253- EC Number
- 261-267-9
- Nikkaji
- J296.947E
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 508
Physicochemical properties
- EPA Substance Registry System
- 4 · Phenol, 4-nitro-2-[[(2,4,6-tripropoxyphenyl)methylene]amino]- (58470-12-5)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 4-nitro-2-[[(2,4,6-tripropoxyphenyl)methylene]amino]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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