3-(2-((3-Methylphenoxy)acetyl)carbohydrazonoyl)phenyl 4-chlorobenzoate
Basic information
- CAS
477728-86-2- Standard SMILES
Cc1cccc(OCC(=O)N/N=C/c2cccc(OC(=O)c3ccc(Cl)cc3)c2)c1- InChIKey
DXNNYIRYPKLEIX-AFUMVMLFSA-N- Molecular formula
- C23H19ClN2O4
- Average molar mass
- 422.9 g/mol
- Monoisotopic mass
- 422.1033348
Names & identifiers
- Preferred name
- 3-(2-((3-Methylphenoxy)acetyl)carbohydrazonoyl)phenyl 4-chlorobenzoate
- IUPAC
- [3-[(E)-[[2-(3-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
- English name
- SALOR-INT L234370-1EA
- Molecular formula
- C23H19ClN2O4
- Molecular weight
- 422.86
Names & synonyms
3-(2-((3-METHYLPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATERefChem:490242477728-86-2646-449-1AKOS024408055SALOR-INT L234370-1EA
Database identifiers
- CAS
477728-86-2- PubChem CID
- 9606525
- EC Number
- 646-449-1
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 77 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 592
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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