5-(Benzoyloxy)-2-(2-(2-methylbenzoyl)carbohydrazonoyl)phenyl benzoate
Basic information
- CAS
769146-96-5- Standard SMILES
Cc1ccccc1C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1- InChIKey
UCUQNCYFZZLLOC-NDZAJKAJSA-N- Molecular formula
- C29H22N2O5
- Average molar mass
- 478.5 g/mol
- Monoisotopic mass
- 478.15287181
Names & identifiers
- Preferred name
- 5-(Benzoyloxy)-2-(2-(2-methylbenzoyl)carbohydrazonoyl)phenyl benzoate
- IUPAC
- [3-benzoyloxy-4-[(E)-[(2-methylbenzoyl)hydrazinylidene]methyl]phenyl] benzoate
- English name
- SALOR-INT L462691-1EA
- Molecular formula
- C29H22N2O5
- Molecular weight
- 478.5
Names & synonyms
5-(BENZOYLOXY)-2-(2-(2-METHYLBENZOYL)CARBOHYDRAZONOYL)PHENYL BENZOATERefChem:530757769146-96-5657-987-1AKOS024417438SALOR-INT L462691-1EA
Database identifiers
- CAS
769146-96-5- PubChem CID
- 9688050
- EC Number
- 657-987-1
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 94.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 772
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
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Related reactions
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Compound notes
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