Basic information
- CAS
788-24-9- Standard SMILES
O=C(O)c1ccc(N=Cc2ccccc2O)cc1- InChIKey
CZNXQJHAMQNIHB-UHFFFAOYSA-N- Molecular formula
- C14H11NO3
- Average molar mass
- 241.24 g/mol
- Monoisotopic mass
- 241.07389321
Overview
4-[(2-Hydroxy-benzylidene)-amino]-benzoic acid is a member of benzoic acids.
Names & identifiers
- Preferred name
- N-(4-Carboxyphenyl)salicylideneimine
- IUPAC
- 4-[(2-hydroxyphenyl)methylideneamino]benzoic acid
- English name
- 4-[(6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]benzoic acid
- Molecular formula
- C14H11NO3
- Molecular weight
- 241.24
Names & synonyms
DTXSID101291043N-(4-Carboxyphenyl)salicylideneimine4-[(2-Hydroxy-benzylidene)-amino]-benzoic acid4-((2-HYDROXY-BENZYLIDENE)-AMINO)-BENZOIC ACIDRefChem:827329DTXCID101721646685-021-9p-(Salicylideneamino)benzoic acid788-24-9915070-60-9(E)-4-((2-hydroxybenzylidene)amino)benzoic acid4-((2-Hydroxybenzylidene)amino)benzoic acid
Show more names
4-[(2-hydroxyphenyl)methylideneamino]benzoic acid4-[(E)-[(2-HYDROXYPHENYL)METHYLIDENE]AMINO]BENZOIC ACIDN-salicylidene-4-carboxyanilineCHEMBL39398994-{[(2-hydroxyphenyl)methylidene]amino}benzoic acid4-[(6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]benzoic acidF0777-0813Benzoic acid, p-(salicylideneamino)-
Database identifiers
- CAS
788-24-9- PubChem CID
- 97114
- DTXSID
DTXSID101291043- ChEMBL
CHEMBL3939899- ChEBI
CHEBI:144335
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 69.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 308
Physicochemical properties
- Melting point
- 276 · 276-278 °C(Solvent: Methanol)
- Boiling point
- 468.393 · 468.393±30.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.221 · 1.221±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.16 · 10.16
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319-H302
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H319-H302
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Additional notes
DefinitionChEBI: 4-[(2-Hydroxy-benzylidene)-amino]-benzoic acid is a member of benzoic acids.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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