Basic information
- CAS
328259-30-9- Standard SMILES
COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1- InChIKey
DNBIZAYCOTVFIS-UHFFFAOYSA-N- Molecular formula
- C18H16N2O8
- Average molar mass
- 388.3 g/mol
- Monoisotopic mass
- 388.09066547
Names & identifiers
- Preferred name
- Dimethyl 2-[(4-methoxy-3-nitrobenzoyl)amino]terephthalate
- IUPAC
- dimethyl 2-[(4-methoxy-3-nitrobenzoyl)amino]benzene-1,4-dicarboxylate
Names & synonyms
Oprea1_037712Oprea1_611973DNBIZAYCOTVFIS-UHFFFAOYSA-NSTK053849AKOS000678318ST011232SR-01000425773SR-01000425773-1dimethyl 2-(4-methoxy-3-nitrobenzamido)terephthalateDimethyl 2-[(4-methoxy-3-nitrobenzoyl)amino]terephthalateDimethyl 2-[(4-methoxy-3-nitrobenzoyl)amino]terephthalate #dimethyl 2-(4-methoxy-3-nitrobenzamido)benzene-1,4-dicarboxylate
Show more names
Benzene-1,4-dicarboxylic acid, 2-(4-methoxy-3-nitrobenzoylamino)-, dimethyl esterdimethyl 2-{[(4-methoxy-3-nitrophenyl)carbonyl]amino}benzene-1,4-dicarboxylatemethyl 4-(methoxycarbonyl)-3-[(4-methoxy-3-nitrophenyl)carbonylamino]benzoate328259-30-9
Database identifiers
- CAS
328259-30-9- PubChem CID
- 601931
- EC Number
- 140-871-5
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 605
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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