Ethyl 4-(2-hydroxybenzylideneamino)benzoate
Basic information
- CAS
3246-76-2- Standard SMILES
CCOC(=O)c1ccc(N=Cc2ccccc2O)cc1- InChIKey
LFPLHVSNSZORMO-UHFFFAOYSA-N- Molecular formula
- C16H15NO3
- Average molar mass
- 269.29 g/mol
- Monoisotopic mass
- 269.10519334
Names & identifiers
- Preferred name
- Ethyl 4-(2-hydroxybenzylideneamino)benzoate
- IUPAC
- ethyl 4-[(2-hydroxyphenyl)methylideneamino]benzoate
- English name
- ethyl 4-[(6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]benzoate
- Molecular formula
- C16H15NO3
- Molecular weight
- 269.3
Names & synonyms
ETHYL 4-(2-HYDROXYBENZYLIDENEAMINO)BENZOATERefChem:595196653-422-8NSC1555033246-76-2TimTec1_000897Oprea1_005046Oprea1_441341CBDivE_000524ETHYL 4-{[(2-HYDROXYPHENYL)METHYLIDENE]AMINO}BENZOATEHMS1536I17AKOS000575438
Show more names
ethyl 4-[(6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]benzoate
NSC-155503NCGC00175006-01ST009657ethyl4-(2-hydroxy-benzylideneamino)benzoateEU-0035335(E)-ethyl-4-((2-hydroxybenzylidene)amino)benzoateethyl 4-[(1E)-2-(2-hydroxyphenyl)-1-azavinyl]benzoate{(E)-2-(((4-(ethoxycarbonyl)phenyl)iminio)-methyl)phenolate}
Database identifiers
- CAS
3246-76-2- PubChem CID
- 291004
- EC Number
- 653-422-8
- Nikkaji
- J2.523.912A
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 335
Physicochemical properties
- Melting point
- 85 °C · 85 °C
- Boiling point
- 439.095 · 439.095±30.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.131 · 1.131±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.357 · 8.357±0.30(predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400-H319-H335-H315
- Precautionary statements
- 273 · P273-P391-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H400-H319-H335-H315
- Precautionary statements
- P273-P391-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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