Basic information
- CAS
477731-90-1- Standard SMILES
CCOc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)ccc1OC(=O)c1ccc(Cl)cc1Cl- InChIKey
CDZFUICNEZPSMT-KKMKTNMSSA-N- Molecular formula
- C24H18Cl2N2O6
- Average molar mass
- 501.3 g/mol
- Monoisotopic mass
- 500.0541917
Names & identifiers
- Preferred name
- 4-((E)-((1,3-Benzodioxol-5-ylcarbonyl)hydrazono)methyl)-2-ethoxyphenyl 2,4-dichlorobenzoate
- IUPAC
- [4-[(E)-(1,3-benzodioxole-5-carbonylhydrazinylidene)methyl]-2-ethoxyphenyl] 2,4-dichlorobenzoate
Names & synonyms
477731-90-14-{(E)-[(1,3-benzodioxol-5-ylcarbonyl)hydrazono]methyl}-2-ethoxyphenyl 2,4-dichlorobenzoate4-((E)-((1,3-Benzodioxol-5-ylcarbonyl)hydrazono)methyl)-2-ethoxyphenyl 2,4-dichlorobenzoateRefChem:509791647-721-2AKOS024408367
Database identifiers
- CAS
477731-90-1- PubChem CID
- 9672002
- EC Number
- 647-721-2
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 740
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, 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 CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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