1-[[2-(4-Propoxybenzoyl)hydrazinylidene]methyl]-2-naphthalenyl 2-chlorobenzoate
Basic information
- CAS
881460-56-6- Standard SMILES
CCCOc1ccc(C(=O)NN=Cc2c(OC(=O)c3ccccc3Cl)ccc3ccccc23)cc1- InChIKey
ZEJXUYNYXXPKJY-UHFFFAOYSA-N- Molecular formula
- C28H23ClN2O4
- Average molar mass
- 486.9 g/mol
- Monoisotopic mass
- 486.1346349
Names & identifiers
- Preferred name
- 1-[[2-(4-Propoxybenzoyl)hydrazinylidene]methyl]-2-naphthalenyl 2-chlorobenzoate
- IUPAC
- [1-[[(4-propoxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
- English name
- 1-(2-(4-Propoxybenzoyl)carbohydrazonoyl)-2-naphthyl 2-chlorobenzoate
- Molecular weight
- 486.95
Names & synonyms
DTXSID9011353061-[[2-(4-Propoxybenzoyl)hydrazinylidene]methyl]-2-naphthalenyl 2-chlorobenzoate881460-56-61-{[2-(4-Propoxybenzoyl)hydrazinylidene]methyl}naphthalen-2-yl 2-chlorobenzoate1-(2-(4-Propoxybenzoyl)carbohydrazonoyl)-2-naphthyl 2-chlorobenzoateBenzoic acid, 2-chloro-, 1-[[2-(4-propoxybenzoyl)hydrazinylidene]methyl]-2-naphthalenyl ester
Database identifiers
- CAS
881460-56-6- PubChem CID
- 4601285
- DTXSID
DTXSID901135306- EC Number
- 131-493-1
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 77 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 724
Physicochemical properties
- Density
- 1.235 · 1.235±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.775 · 11.775±0.46(predicted)
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
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
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Related reactions
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Compound notes
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