4-Bromo-2-(2-(3,4-dimethoxybenzoyl)carbohydrazonoyl)phenyl 4-propoxybenzoate
Basic information
- CAS
764657-00-3- Standard SMILES
CCCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(OC)c(OC)c2)cc1- InChIKey
HTGGPMSTYSHVQS-LQKURTRISA-N- Molecular formula
- C26H25BrN2O6
- Average molar mass
- 541.4 g/mol
- Monoisotopic mass
- 540.0896
Names & identifiers
- Preferred name
- 4-Bromo-2-(2-(3,4-dimethoxybenzoyl)carbohydrazonoyl)phenyl 4-propoxybenzoate
- IUPAC
- [4-bromo-2-[(E)-[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
- English name
- SALOR-INT L403067-1EA
- Molecular formula
- C26H25BrN2O6
- Molecular weight
- 541.39
Names & synonyms
4-BROMO-2-(2-(3,4-DIMETHOXYBENZOYL)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATERefChem:519371764657-00-3643-526-1AKOS024416120SALOR-INT L403067-1EA
Database identifiers
- CAS
764657-00-3- PubChem CID
- 9607845
- EC Number
- 643-526-1
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 699
Physicochemical properties
- Density
- 1.337 · 1.337±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.36 · 11.360±0.46(predicted)
- Hazard statements
- 413 · H413
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)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Safety data
- Hazard statements
- H413
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Related reactions
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Compound notes
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