Basic information
- CAS
782-75-2- Standard SMILES
Oc1cccc(N=Cc2ccccc2O)c1- InChIKey
UALRWOGQNILXLJ-UHFFFAOYSA-N- Molecular formula
- C13H11NO2
- Average molar mass
- 213.23 g/mol
- Monoisotopic mass
- 213.07897859
Overview
See also: Alpha-(3-hydroxyphenylimino)-O-cresol (annotation moved to).
Names & identifiers
- Preferred name
- 3-[(2-Hydroxybenzyl)amino]phenol
- IUPAC
- 2-[(3-hydroxyphenyl)iminomethyl]phenol
- English name
- 2-[(1E)-[(3-hydroxyphenyl)imino]methyl]phenol
- Molecular formula
- C13H11NO2
- Molecular weight
- 213.23
Names & synonyms
782-75-2AC1O6UD0NSC15563-[(2-HYDROXYBENZYL)AMINO]PHENOL3-(N-salicylideneamino)phenolCHEMBL2064674SCHEMBL11406841SCHEMBL11406860DTXSID60424723(6E)-6-[(3-hydroxyanilino)methylidene]cyclohexa-2,4-dien-1-oneNSC-1556NSC112113
Show more names
ALPHA-(3-HYDROXYPHENYLIMINO)-O-CRESOL2-[(1E)-[(3-hydroxyphenyl)imino]methyl]phenol
AKOS024334138NSC-1121132-{(E)-[(3-hydroxyphenyl)imino]methyl}phenol
Database identifiers
- CAS
782-75-2- PubChem CID
- 219804
- DTXSID
DTXSID60424723- ChEMBL
CHEMBL2064674- Nikkaji
- J1.253.360H
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 52.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 242
Physicochemical properties
- Melting point
- 124 · 124-126 °C(Solvent: Ethanol; Water)
- Boiling point
- 428.283 · 428.283±30.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.158 · 1.158±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.07 · 10.07 (pKa₂)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H302-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H302-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-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]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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