4-Bromo-2-(2-(4-fluorobenzoyl)carbohydrazonoyl)phenyl 2-chlorobenzoate
Basic information
- CAS
769149-48-6- Standard SMILES
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1Cl)c1ccc(F)cc1- InChIKey
NZNHPVQBSUBLSP-BRJLIKDPSA-N- Molecular formula
- C21H13BrClFN2O3
- Average molar mass
- 475.7 g/mol
- Monoisotopic mass
- 473.97821
Names & identifiers
- Preferred name
- 4-Bromo-2-(2-(4-fluorobenzoyl)carbohydrazonoyl)phenyl 2-chlorobenzoate
- IUPAC
- [4-bromo-2-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
- English name
- SALOR-INT L396214-1EA
- Molecular formula
- C21H13BrClFN2O3
- Molecular weight
- 475.7
Names & synonyms
4-BROMO-2-(2-(4-FLUOROBENZOYL)CARBOHYDRAZONOYL)PHENYL 2-CHLOROBENZOATERefChem:519428769149-48-6643-462-44-bromo-2-[(Z)-{2-[(4-fluorophenyl)carbonyl]hydrazinylidene}methyl]phenyl 2-chlorobenzoateAKOS024415550SALOR-INT L396214-1EA
Database identifiers
- CAS
769149-48-6- PubChem CID
- 9636136
- EC Number
- 643-462-4
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 600
Physicochemical properties
- Density
- 1.486 · 1.486±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.558 · 11.558±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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