2-Ethoxy-4-(2-((1-naphthoylamino)acetyl)carbohydrazonoyl)phenyl 4-chlorobenzoate
Basic information
- CAS
764655-57-4- Standard SMILES
CCOc1cc(/C=N/NC(=O)CNC(=O)c2cccc3ccccc23)ccc1OC(=O)c1ccc(Cl)cc1- InChIKey
UNHVBVMLQINRIG-VTNSRFBWSA-N- Molecular formula
- C29H24ClN3O5
- Average molar mass
- 530 g/mol
- Monoisotopic mass
- 529.1404486
Names & identifiers
- Preferred name
- 2-Ethoxy-4-(2-((1-naphthoylamino)acetyl)carbohydrazonoyl)phenyl 4-chlorobenzoate
- IUPAC
- [2-ethoxy-4-[(E)-[[2-(naphthalene-1-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
- English name
- SALOR-INT L404160-1EA
- Molecular formula
- C29H24ClN3O5
- Molecular weight
- 529.97
Names & synonyms
764655-57-42-ETHOXY-4-(2-((1-NAPHTHOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATERefChem:471446643-122-5AKOS024416215SALOR-INT L404160-1EABenzoic acid, 4-chloro-, 2-ethoxy-4-[[2-[2-[(1-naphthalenylcarbonyl)amino]acetyl]hydrazinylidene]methyl]phenyl ester
Database identifiers
- CAS
764655-57-4- PubChem CID
- 9637992
- EC Number
- 643-122-5
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 831
Physicochemical properties
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- 11.88 · 11.88±0.46(Predicted)
- Hazard statements
- 413 · H413
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
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Safety data
- Hazard statements
- H413
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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