Ethyl 4-[(4-methoxy-3-nitrobenzoyl)amino]benzoate
Basic information
- CAS
328259-35-4- Standard SMILES
CCOC(=O)c1ccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1- InChIKey
CNIGOJCRUWOURW-UHFFFAOYSA-N- Molecular formula
- C17H16N2O6
- Average molar mass
- 344.32 g/mol
- Monoisotopic mass
- 344.10083623
Names & identifiers
- Preferred name
- Ethyl 4-[(4-methoxy-3-nitrobenzoyl)amino]benzoate
- IUPAC
- ethyl 4-[(4-methoxy-3-nitrobenzoyl)amino]benzoate
- English name
- ethyl 4-{[(4-methoxy-3-nitrophenyl)carbonyl]amino}benzoate
- Molecular formula
- C17H16N2O6
- Molecular weight
- 344.32
Names & synonyms
ethyl 4-[(4-methoxy-3-nitrobenzoyl)amino]benzoateETHYL 4-(4-METHOXY-3-NITROBENZAMIDO)BENZOATEOprea1_658821Oprea1_681741STK066253AKOS000678386ST011238AK-968/11566641SR-01000478389ethyl 4-({3-nitro-4-methoxybenzoyl}amino)benzoateSR-01000478389-1ethyl 4-[(4-methoxy-3-nitrophenyl)carbonylamino]benzoate
Show more names
ETHYL 4-((4-METHOXY-3-NITROBENZOYL)AMINO)BENZOATEBenzoic acid, 4-[(4-methoxy-3-nitrobenzoyl)amino]-, ethyl ester
ethyl 4-{[(4-methoxy-3-nitrophenyl)carbonyl]amino}benzoate328259-35-4
Database identifiers
- CAS
328259-35-4- PubChem CID
- 711540
- EC Number
- 140-876-2
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 484
Physicochemical properties
- Boiling point
- 458.2 · 458.2±45.0 °C(Predicted)
- Density
- 1.331 · 1.331±0.06 g/cm3(Predicted)
- pka
- 11.54 · 11.54±0.70(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
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Related reactions
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Compound notes
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