Basic information
- CAS
329940-62-7- Standard SMILES
COC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl- InChIKey
DVWMDFISWCEDRI-UHFFFAOYSA-N- Molecular formula
- C15H11ClN2O5
- Average molar mass
- 334.71 g/mol
- Monoisotopic mass
- 334.0356491
Names & identifiers
- Preferred name
- Methyl 2-[(2-chloro-4-nitrobenzoyl)amino]benzoate
- IUPAC
- methyl 2-[(2-chloro-4-nitrobenzoyl)amino]benzoate
- English name
- Methyl 2-((2-chloro-4-nitrobenzoyl)amino)benzoate
- Molecular formula
- C15H11ClN2O5
- Molecular weight
- 334.71
Names & synonyms
methyl 2-[(2-chloro-4-nitrobenzoyl)amino]benzoate329940-62-7Methyl 2-(2-chloro-4-nitrobenzamido)benzoateMETHYL 2-((2-CHLORO-4-NITROBENZOYL)AMINO)BENZOATEmethyl 2-[({2-chloro-4-nitrophenyl}carbonyl)amino]benzoatemethyl 2-{[(2-chloro-4-nitrophenyl)carbonyl]amino}benzoateOprea1_390764Oprea1_726280DTXSID801231367STK017384AKOS001380389ST010834
Show more names
Benzoic acid, 2-[(2-chloro-4-nitrobenzoyl)amino]-, methyl ester
AG-690/11634259SR-01000357120SR-01000357120-1Z27656109methyl 2-[(2-chloro-4-nitrophenyl)carbonylamino]benzoate
Database identifiers
- CAS
329940-62-7- PubChem CID
- 710864
- DTXSID
DTXSID801231367- EC Number
- 119-310-3
- Nikkaji
- J3.084.142E
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 467
Physicochemical properties
- Boiling point
- 434.9 · 434.9±45.0 °C(Predicted)
- Density
- 1.455 · 1.455±0.06 g/cm3(Predicted)
- pka
- 10.79 · 10.79±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%)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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