3-(2-(4-Chlorobenzoyl)carbohydrazonoyl)phenyl 4-chlorobenzoate
Basic information
- CAS
477728-93-1- Standard SMILES
O=C(N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1)c1ccc(Cl)cc1- InChIKey
PEMWFJJWMCOJBD-ZMOGYAJESA-N- Molecular formula
- C21H14Cl2N2O3
- Average molar mass
- 413.2 g/mol
- Monoisotopic mass
- 412.0381477
Names & identifiers
- Preferred name
- 3-(2-(4-Chlorobenzoyl)carbohydrazonoyl)phenyl 4-chlorobenzoate
- IUPAC
- [3-[(E)-[(4-chlorobenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Names & synonyms
477728-93-13-(2-(4-CHLOROBENZOYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATERefChem:490459646-442-3AKOS024408062
Database identifiers
- CAS
477728-93-1- PubChem CID
- 9681302
- EC Number
- 646-442-3
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 556
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%)
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Related reactions
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Compound notes
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