Ethyl 4-[(4-chlorobenzylidene)amino]benzoate
Basic information
- CAS
16979-23-0- Standard SMILES
CCOC(=O)c1ccc(N=Cc2ccc(Cl)cc2)cc1- InChIKey
NEDIAEKHSBGMMT-UHFFFAOYSA-N- Molecular formula
- C16H14ClNO2
- Average molar mass
- 287.74 g/mol
- Monoisotopic mass
- 287.0713064
Names & identifiers
- Preferred name
- Ethyl 4-[(4-chlorobenzylidene)amino]benzoate
- IUPAC
- ethyl 4-[(4-chlorophenyl)methylideneamino]benzoate
Names & synonyms
ethyl 4-[(4-chlorobenzylidene)amino]benzoateHMS1536K1716979-23-0TimTec1_000941CBDivE_009342DTXSID40351104CCG-53222STK020057AKOS000483051NCGC00174958-01ST009674(e)-ethyl 4-(4-chlorobenzylidene amino)benzoate
Show more names
SR-01000642398-1BRD-K87092662-001-01-5ethyl 4-[(1E)-2-(4-chlorophenyl)-1-azavinyl]benzoateEthyl 4-{(E)-[(4-chlorophenyl)methylidene]amino}benzoateethyl 4-{[(E)-(4-chlorophenyl)methylidene]amino}benzoateETHYL 4-{[(4-CHLOROPHENYL)METHYLIDENE]AMINO}BENZOATE4-((4-CHLORO-BENZYLIDENE)-AMINO)-BENZOIC ACID ETHYL ESTER
Database identifiers
- CAS
16979-23-0- PubChem CID
- 690830
- DTXSID
DTXSID40351104- EC Number
- 167-692-5
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 329
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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, 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 CategoriesSkin Sens. 1 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…