4-BR-2-(2-((4-Ethylanilino)(oxo)AC)carbohydrazonoyl)phenyl 3,4-dimethoxybenzoate
Basic information
- CAS
769149-73-7- Standard SMILES
CCc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(OC)c(OC)c2)cc1- InChIKey
XLLLVLJKYCWAJD-RWPZCVJISA-N- Molecular formula
- C26H24BrN3O6
- Average molar mass
- 554.4 g/mol
- Monoisotopic mass
- 553.08485
Names & identifiers
- Preferred name
- 4-BR-2-(2-((4-Ethylanilino)(oxo)AC)carbohydrazonoyl)phenyl 3,4-dimethoxybenzoate
- IUPAC
- [4-bromo-2-[(E)-[[2-(4-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3,4-dimethoxybenzoate
- English name
- SALOR-INT L395846-1EA
- Molecular formula
- C26H24BrN3O6
- Molecular weight
- 554.39
Names & synonyms
4-BR-2-(2-((4-ETHYLANILINO)(OXO)AC)CARBOHYDRAZONOYL)PHENYL 3,4-DIMETHOXYBENZOATERefChem:518697769149-73-7643-887-5AKOS024415517SALOR-INT L395846-1EA
Database identifiers
- CAS
769149-73-7- PubChem CID
- 9639136
- EC Number
- 643-887-5
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 773
Physicochemical properties
- 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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