4-Bromo-2-(2-(4-chlorobenzoyl)carbohydrazonoyl)phenyl 4-methoxybenzoate
Basic information
- CAS
356800-24-3- Standard SMILES
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(Cl)cc2)cc1- InChIKey
HBFUNMFVAFEHML-DHRITJCHSA-N- Molecular formula
- C22H16BrClN2O4
- Average molar mass
- 487.7 g/mol
- Monoisotopic mass
- 485.9982
Names & identifiers
- Preferred name
- 4-Bromo-2-(2-(4-chlorobenzoyl)carbohydrazonoyl)phenyl 4-methoxybenzoate
- IUPAC
- [4-bromo-2-[(E)-[(4-chlorobenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
- English name
- SALOR-INT L392421-1EA
- Molecular formula
- C22H16BrClN2O4
- Molecular weight
- 487.73
Names & synonyms
4-BROMO-2-(2-(4-CHLOROBENZOYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATERefChem:519423356800-24-3649-793-0AKOS024350013ST509738782-{(1E)-2-[(4-chlorophenyl)carbonylamino]-2-azavinyl}-4-bromophenyl 4-methoxyb enzoateSALOR-INT L392421-1EA
Database identifiers
- CAS
356800-24-3- PubChem CID
- 9631374
- EC Number
- 649-793-0
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 77 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 604
Physicochemical properties
- Density
- 1.439 · 1.439±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.318 · 11.318±0.46(predicted)
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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