Ethanol, 2-[ethyl[4-[2-(4-nitrophenyl)diazenyl]phenyl]amino]-, 1-benzoate
Basic information
- CAS
38978-80-2- Standard SMILES
CCN(CCOC(=O)c1ccccc1)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1- InChIKey
HFAUUNNJWQYWET-UHFFFAOYSA-N- Molecular formula
- C23H22N4O4
- Average molar mass
- 418.4 g/mol
- Monoisotopic mass
- 418.1641052
Names & identifiers
- Preferred name
- Ethanol, 2-[ethyl[4-[2-(4-nitrophenyl)diazenyl]phenyl]amino]-, 1-benzoate
- IUPAC
- 2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]ethyl benzoate
- English name
- 2-[ethyl[4-[(4-nitrophenyl)azo]phenyl]amino]ethyl benzoate
- Molecular formula
- C23H22N4O4
- Molecular weight
- 418.45
Names & synonyms
38978-80-2EINECS 254-232-42-(4-(N-Ethyl-(4-nitrophenyl)azo)anilino)ethanol, benzoate (ester)Ethanol, 2-[ethyl[4-[(4-nitrophenyl)azo]phenyl]amino]-, benzoate (ester)Ethanol, 2-(ethyl(4-((4-nitrophenyl)azo)phenyl)amino)-, benzoate (ester)Ethanol, 2-(ethyl(4-(2-(4-nitrophenyl)diazenyl)phenyl)amino)-, 1-benzoateEthanol, 2-[ethyl[4-[2-(4-nitrophenyl)diazenyl]phenyl]amino]-, 1-benzoateRefChem:5922322-(Ethyl(4-((4-nitrophenyl)azo)phenyl)amino)ethyl benzoate2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]ethyl benzoate2-[ethyl[4-[azo]phenyl]amino]ethylbenzoateMZJ7N89WJU
Show more names
2-[ethyl[4-[(4-nitrophenyl)azo]phenyl]amino]ethyl benzoateBenzoic acid 2-[ethyl(4'-nitroazobenzene-4-yl)amino]ethyl esterBenzoic acid 2-[ethyl[4-[(4-nitrophenyl)azo]phenyl]amino]ethyl ester
DTXSID5068152SCHEMBL14279973HFAUUNNJWQYWET-UHFFFAOYSA-NNS000304972-(Ethyl{4-[(4-nitrophenyl)diazenyl]phenyl}amino)ethyl benzoate
Database identifiers
- CAS
38978-80-2- PubChem CID
- 170146
- DTXSID
DTXSID5068152- UNII
- MZJ7N89WJU
- EC Number
- 254-232-4
- Nikkaji
- J319.882K
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 587
Physicochemical properties
- Boiling point
- 598.6 · 598.6±45.0 °C(Predicted)
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- pka
- 2.33 · 2.33±0.50(Predicted)
- EPA Substance Registry System
- 2 · Ethanol, 2-[ethyl[4-[(4-nitrophenyl)azo]phenyl]amino]-, benzoate (ester) (38978-80-2)
- 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 InformationEthanol, 2-[ethyl[4-[2-(4-nitrophenyl)diazenyl]phenyl]amino]-, 1-benzoate: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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