Ethyl 2-[(4-methyl-3-nitrophenyl)carbonylamino]benzoate
Basic information
- CAS
326901-45-5- Standard SMILES
CCOC(=O)c1ccccc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1- InChIKey
FQAIWOSBTHUSQR-UHFFFAOYSA-N- Molecular formula
- C17H16N2O5
- Average molar mass
- 328.32 g/mol
- Monoisotopic mass
- 328.10592162
Names & identifiers
- Preferred name
- Ethyl 2-[(4-methyl-3-nitrophenyl)carbonylamino]benzoate
- IUPAC
- ethyl 2-[(4-methyl-3-nitrobenzoyl)amino]benzoate
- English name
- ethyl 2-[(4-methyl-3-nitrobenzoyl)amino]benzoate
- Molecular formula
- C17H16N2O5
- Molecular weight
- 328.32
Names & synonyms
ethyl 2-[(4-methyl-3-nitrobenzoyl)amino]benzoateethyl 2-[(4-methyl-3-nitrophenyl)carbonylamino]benzoateETHYL 2-((4-METHYL-3-NITROBENZOYL)AMINO)BENZOATEOprea1_051192SBB006428STK080111AKOS001605104ST010811ST011786AB00089322-01SR-01000407220ETHYL 2-(4-METHYL-3-NITROBENZAMIDO)BENZOATE
Show more names
Benzoic acid, 2-[(4-methyl-3-nitrobenzoyl)amino]-, ethyl ester
SR-01000407220-1ethyl 2-{[(4-methyl-3-nitrophenyl)carbonyl]amino}benzoate326901-45-5
Database identifiers
- CAS
326901-45-5- PubChem CID
- 710824
- EC Number
- 141-032-6
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 476
Physicochemical properties
- Boiling point
- 427 · 427.0±45.0 °C(Predicted)
- Density
- 1.308 · 1.308±0.06 g/cm3(Predicted)
- pka
- 11.97 · 11.97±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
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, 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 CategoriesAquatic Acute 1 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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