4-(2-((3-CL-2-Methylanilino)(oxo)AC)carbohydrazonoyl)-2-meo-PH 3-bromobenzoate
Basic information
- CAS
477730-20-4- Standard SMILES
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2C)ccc1OC(=O)c1cccc(Br)c1- InChIKey
OMRSMMMVWKXVPD-UVHMKAGCSA-N- Molecular formula
- C24H19BrClN3O5
- Average molar mass
- 544.8 g/mol
- Monoisotopic mass
- 543.01966
Names & identifiers
- Preferred name
- 4-(2-((3-CL-2-Methylanilino)(oxo)AC)carbohydrazonoyl)-2-meo-PH 3-bromobenzoate
- IUPAC
- [4-[(E)-[[2-(3-chloro-2-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-bromobenzoate
- English name
- SALOR-INT L235970-1EA
- Molecular formula
- C24H19BrClN3O5
- Molecular weight
- 544.78
Names & synonyms
4-(2-((3-CL-2-METHYLANILINO)(OXO)AC)CARBOHYDRAZONOYL)-2-MEO-PH 3-BROMOBENZOATERefChem:511143477730-20-4647-486-6AKOS024408189SALOR-INT L235970-1EA[4-[(E)-[[2-(3-chloro-2-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-bromobenzoateBenzoic acid, 3-bromo-, 4-[[2-[2-[(3-chloro-2-methylphenyl)amino]-2-oxoacetyl]hydrazinylidene]methyl]-2-methoxyphenyl ester
Database identifiers
- CAS
477730-20-4- PubChem CID
- 9609545
- EC Number
- 647-486-6
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 754
Physicochemical properties
- Density
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- pka
- 9.57 · 9.57±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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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