Ethyl 4-(3-chlorobenzamido)benzoate
Basic information
- CAS
127442-09-5- Standard SMILES
CCOC(=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1- InChIKey
VTYASFGTEDMWAA-UHFFFAOYSA-N- Molecular formula
- C16H14ClNO3
- Average molar mass
- 303.74 g/mol
- Monoisotopic mass
- 303.066221
Names & identifiers
- Preferred name
- Ethyl 4-(3-chlorobenzamido)benzoate
- IUPAC
- ethyl 4-[(3-chlorobenzoyl)amino]benzoate
- English name
- AURORA 4530
- Molecular formula
- C16H14ClNO3
- Molecular weight
- 303.74
Names & synonyms
Ethyl 4-(3-chlorobenzamido)benzoate127442-09-5RefChem:595208668-237-8NSC205494ethyl 4-[(3-chlorobenzoyl)amino]benzoateOprea1_252444SCHEMBL9645763AKOS001595305NSC-205494ST070591ethyl 4-[(3-chlorophenyl)carbonylamino]benzoate
Show more names
AURORA 4530Benzoic acid, 4-[(3-chlorobenzoyl)amino]-, ethyl ester
SR-01000405015SR-01000405015-1
Database identifiers
- CAS
127442-09-5- PubChem CID
- 307389
- EC Number
- 668-237-8
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 367
Physicochemical properties
- Boiling point
- 378.6 · 378.6±27.0 °C(Predicted)
- Density
- 1.294 · 1.294±0.06 g/cm3(Predicted)
- pka
- 12.48 · 12.48±0.70(Predicted)
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410
- 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 38 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 CategoriesAquatic Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H410
- Precautionary statements
- P273-P391-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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