Basic information
- CAS
331429-90-4- Standard SMILES
COC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1- InChIKey
MXJOPGVTYFDIQO-UHFFFAOYSA-N- Molecular formula
- C15H11Cl2NO3
- Average molar mass
- 324.2 g/mol
- Monoisotopic mass
- 323.0115986
Names & identifiers
- Preferred name
- Methyl 4-[(2,4-dichlorobenzoyl)amino]benzoate
- IUPAC
- methyl 4-[(2,4-dichlorobenzoyl)amino]benzoate
- English name
- methyl 4-[(2,4-dichlorobenzoyl)amino]benzoate
- Molecular formula
- C15H11Cl2NO3
- Molecular weight
- 324.16
Names & synonyms
methyl 4-[(2,4-dichlorobenzoyl)amino]benzoate331429-90-4Oprea1_192244Oprea1_223804CBDivE_0137874-(2,4-Dichloro-benzoylamino)-benzoic acid methyl esterDTXSID901254435STK414163AKOS000576661ST50562665AB00078647-01AH-034/01372034
Show more names
Benzoic acid, 4-[(2,4-dichlorobenzoyl)amino]-, methyl ester
METHYL 4-(2,4-DICHLOROBENZAMIDO)BENZOATEmethyl 4-[(2,4-dichlorophenyl)carbonylamino]benzoatemethyl 4-{[(2,4-dichlorophenyl)carbonyl]amino}benzoate
Database identifiers
- CAS
331429-90-4- PubChem CID
- 765670
- DTXSID
DTXSID901254435- EC Number
- 141-309-1
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 383
Physicochemical properties
- Boiling point
- 398.2 · 398.2±42.0 °C(Predicted)
- Density
- 1.408 · 1.408±0.06 g/cm3(Predicted)
- pka
- 11.55 · 11.55±0.70(Predicted)
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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