4-(2-(1-Naphthoyl)carbohydrazonoyl)phenyl 3,4-dimethoxybenzoate
Basic information
- CAS
765273-94-7- Standard SMILES
COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc4ccccc34)cc2)cc1OC- InChIKey
CKEFXYXKGUPPHE-OGLMXYFKSA-N- Molecular formula
- C27H22N2O5
- Average molar mass
- 454.5 g/mol
- Monoisotopic mass
- 454.15287181
Names & identifiers
- Preferred name
- 4-(2-(1-Naphthoyl)carbohydrazonoyl)phenyl 3,4-dimethoxybenzoate
- IUPAC
- [4-[(E)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 3,4-dimethoxybenzoate
- English name
- SALOR-INT L456799-1EA
- Molecular formula
- C27H22N2O5
- Molecular weight
- 454.47
Names & synonyms
4-(2-(1-NAPHTHOYL)CARBOHYDRAZONOYL)PHENYL 3,4-DIMETHOXYBENZOATERefChem:511399765273-94-7656-196-9AKOS024416984SALOR-INT L456799-1EA[4-[(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 3,4-dimethoxybenzoate
Database identifiers
- CAS
765273-94-7- PubChem CID
- 9626258
- EC Number
- 656-196-9
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 705
Physicochemical properties
- Density
- 1.214 · 1.214±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.723 · 11.723±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
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Related reactions
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Compound notes
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