Basic information
- CAS
53117-87-6- Standard SMILES
COc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2[N+](=O)[O-])c1- InChIKey
UXYKVLKKWPGSEP-LICLKQGHSA-N- Molecular formula
- C16H14N4O5
- Average molar mass
- 342.31 g/mol
- Monoisotopic mass
- 342.09641956
Names & identifiers
- Preferred name
- N-(3-Methoxyphenyl)-2-(2-(2-nitrobenzylidene)hydrazino)-2-oxoacetamide
- IUPAC
- N-(3-methoxyphenyl)-N'-[(E)-(2-nitrophenyl)methylideneamino]oxamide
- English name
- N-(3-methoxyphenyl)-2-[(2E)-2-(2-nitrobenzylidene)hydrazinyl]-2-oxoacetamide
- Molecular formula
- C16H14N4O5
- Molecular weight
- 342.31
Names & synonyms
53117-87-6N-(3-METHOXYPHENYL)-2-(2-(2-NITROBENZYLIDENE)HYDRAZINO)-2-OXOACETAMIDEN-(3-methoxyphenyl)-2-[2-(2-nitrobenzylidene)hydrazino]-2-oxoacetamideRefChem:826635669-276-3N-(3-methoxyphenyl)-N'-[(E)-(2-nitrophenyl)methylideneamino]oxamideN-(3-methoxyphenyl)-2-[(2E)-2-(2-nitrobenzylidene)hydrazinyl]-2-oxoacetamideSTK160769AKOS000441336SR-01000211410SR-01000211410-1Acetic acid, 2-[(3-methoxyphenyl)amino]-2-oxo-, 2-[(2-nitrophenyl)methylene]hydrazide
Database identifiers
- CAS
53117-87-6- PubChem CID
- 5334292
- EC Number
- 669-276-3
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 519
Physicochemical properties
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 9.63 · 9.63±0.46(Predicted)
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400
- Precautionary statements
- 273 · P273-P391-P501
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)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H400
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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