Basic information
- CAS
765910-47-2- Standard SMILES
CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc(OC)cc1- InChIKey
SLALUMGWTINBJM-CVKSISIWSA-N- Molecular formula
- C24H21FN2O5
- Average molar mass
- 436.4 g/mol
- Monoisotopic mass
- 436.14344994
Names & identifiers
- Preferred name
- 2-Ethoxy-4-(2-(4-fluorobenzoyl)carbohydrazonoyl)phenyl 4-methoxybenzoate
- IUPAC
- [2-ethoxy-4-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
- English name
- SALOR-INT L392162-1EA
- Molecular formula
- C24H21FN2O5
- Molecular weight
- 436.43
Names & synonyms
2-ETHOXY-4-(2-(4-FLUOROBENZOYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATERefChem:471563765910-47-2649-764-2AKOS024415224SALOR-INT L392162-1EA
Database identifiers
- CAS
765910-47-2- PubChem CID
- 9664310
- EC Number
- 649-764-2
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 630
Physicochemical properties
- Density
- 1.22 · 1.220±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.692 · 11.692±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
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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