Basic information
- CAS
329733-75-7- Standard SMILES
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccc(Cl)cc1- InChIKey
QWUXYKBQVCJRJG-UVHMKAGCSA-N- Molecular formula
- C23H17Cl3N2O4
- Average molar mass
- 491.7 g/mol
- Monoisotopic mass
- 490.02539
Names & identifiers
- Preferred name
- 4-(2-(2,4-Dichlorobenzoyl)carbohydrazonoyl)-2-ethoxyphenyl 4-chlorobenzoate
- IUPAC
- [4-[(E)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]-2-ethoxyphenyl] 4-chlorobenzoate
- English name
- SALOR-INT L391743-1EA
- Molecular formula
- C23H17Cl3N2O4
- Molecular weight
- 491.75
Names & synonyms
329733-75-74-(2-(2,4-DICHLOROBENZOYL)CARBOHYDRAZONOYL)-2-ETHOXYPHENYL 4-CHLOROBENZOATERefChem:511415649-652-3AKOS024415189ST512363124-[(E)-{[(2,4-dichlorophenyl)formamido]imino}methyl]-2-ethoxyphenyl 4-chlorobenzoateSALOR-INT L391743-1EABenzoic acid, 2,4-dichloro-, 2-[[4-[(4-chlorobenzoyl)oxy]-3-ethoxyphenyl]methylene]hydrazide
Database identifiers
- CAS
329733-75-7- PubChem CID
- 9687650
- EC Number
- 649-652-3
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 77 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 657
Physicochemical properties
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- 10.42 · 10.42±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
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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