2-(2-(Anilino(oxo)acetyl)carbohydrazonoyl)-4-bromophenyl 2-chlorobenzoate
Basic information
- CAS
769147-90-2- Standard SMILES
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1Cl)C(=O)Nc1ccccc1- InChIKey
SKGMPWBPRUIWRC-DHRITJCHSA-N- Molecular formula
- C22H15BrClN3O4
- Average molar mass
- 500.7 g/mol
- Monoisotopic mass
- 498.99345
Names & identifiers
- Preferred name
- 2-(2-(Anilino(oxo)acetyl)carbohydrazonoyl)-4-bromophenyl 2-chlorobenzoate
- IUPAC
- [2-[(E)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]-4-bromophenyl] 2-chlorobenzoate
- English name
- SALOR-INT L398462-1EA
- Molecular formula
- C22H15BrClN3O4
- Molecular weight
- 500.73
Names & synonyms
769147-90-2RefChem:4530532-(2-(Anilino(oxo)acetyl)carbohydrazonoyl)-4-bromophenyl 2-chlorobenzoate638-037-54-Bromo-2-((2-(2-oxo-2-(phenylamino)acetyl)hydrazono)methyl)phenyl 2-chlorobenzoate2-((E)-{[anilino(oxo)acetyl]hydrazono}methyl)-4-bromophenyl 2-chlorobenzoateAKOS024415737SALOR-INT L398462-1EA
Database identifiers
- CAS
769147-90-2- PubChem CID
- 9688037
- EC Number
- 638-037-5
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 96.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 671
Physicochemical properties
- Density
- 1.493 · 1.493±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.95 · 9.950±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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