3-Bromo-N-(2-oxo-2-(2-(3,4,5-trimethoxybenzylidene)hydrazino)ethyl)benzamide
Basic information
- CAS
764653-72-7- Standard SMILES
COc1cc(/C=N/NC(=O)CNC(=O)c2cccc(Br)c2)cc(OC)c1OC- InChIKey
DMFNDCGRRNKDLB-LSHDLFTRSA-N- Molecular formula
- C19H20BrN3O5
- Average molar mass
- 450.3 g/mol
- Monoisotopic mass
- 449.05863
Names & identifiers
- Preferred name
- 3-Bromo-N-(2-oxo-2-(2-(3,4,5-trimethoxybenzylidene)hydrazino)ethyl)benzamide
- IUPAC
- 3-bromo-N-[2-oxo-2-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
- English name
- SALOR-INT L451304-1EA
- Molecular formula
- C19H20BrN3O5
- Molecular weight
- 450.28
Names & synonyms
3-BROMO-N-(2-OXO-2-(2-(3,4,5-TRIMETHOXYBENZYLIDENE)HYDRAZINO)ETHYL)BENZAMIDERefChem:499250764653-72-7645-215-6AKOS024416558SALOR-INT L451304-1EA
Database identifiers
- CAS
764653-72-7- PubChem CID
- 9687969
- EC Number
- 645-215-6
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 98.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 534
Physicochemical properties
- Density
- 1.41 · 1.410±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.725 · 11.725±0.46(predicted)
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400
- 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.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H400
- Precautionary statements
- P273-P391-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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