Basic information
- CAS
769147-48-0- Standard SMILES
COc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2)cc1- InChIKey
LUJRSMGBXQBWRP-LGJNPRDNSA-N- Molecular formula
- C23H17BrClN3O5
- Average molar mass
- 530.8 g/mol
- Monoisotopic mass
- 529.00401
Names & identifiers
- Preferred name
- 4-BR-2-(2-((4-Methoxyanilino)(oxo)AC)carbohydrazonoyl)phenyl 4-chlorobenzoate
- IUPAC
- [4-bromo-2-[(E)-[[2-(4-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
- English name
- SALOR-INT L398764-1EA
- Molecular formula
- C23H17BrClN3O5
- Molecular weight
- 530.76
Names & synonyms
769147-48-04-BR-2-(2-((4-METHOXYANILINO)(OXO)AC)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATERefChem:518721643-618-14-Bromo-2-((2-(2-((4-methoxyphenyl)amino)-2-oxoacetyl)hydrazono)methyl)phenyl 4-chlorobenzoateAKOS024415764SALOR-INT L398764-1EA
Database identifiers
- CAS
769147-48-0- PubChem CID
- 9635652
- EC Number
- 643-618-1
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 708
Physicochemical properties
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410
- 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 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H410
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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