Alpha-(4-hydroxyphenylimino)-O-cresol
Basic information
- CAS
782-78-5- Standard SMILES
Oc1ccc(N=Cc2ccccc2O)cc1- InChIKey
POLJRSQMPKDDIY-UHFFFAOYSA-N- Molecular formula
- C13H11NO2
- Average molar mass
- 213.23 g/mol
- Monoisotopic mass
- 213.07897859
Names & identifiers
- Preferred name
- Alpha-(4-hydroxyphenylimino)-O-cresol
- IUPAC
- 2-[(4-hydroxyphenyl)iminomethyl]phenol
- English name
- Phenol, o-[N-(p-hydroxyphenyl)formimidoyl]-
- Molecular formula
- C13H11NO2
- Molecular weight
- 213.23
Names & synonyms
ALPHA-(4-HYDROXYPHENYLIMINO)-O-CRESOLRefChem:555263653-374-8782-78-54-[(2-HYDROXYBENZYLIDENE)AMINO]PHENOLNSC1554Phenol, o-[N-(p-hydroxyphenyl)formimidoyl]-salicylidene-p-hydroxyanilineNCIOpen2_006931CBDivE_010165Phenol, p-(salicylideneamino)-CHEMBL2064676
Show more names
SCHEMBL10620536SCHEMBL10620538SCHEMBL30301787DTXSID101382032HMS1671P15NSC-1554NSC100882AKOS000508201
Database identifiers
- CAS
782-78-5- PubChem CID
- 219803
- DTXSID
DTXSID101382032- ChEMBL
CHEMBL2064676- EC Number
- 653-374-8
- Nikkaji
- J1.013.493E
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
- 234
Physicochemical properties
- Melting point
- 138 · 138-139 °C
- Boiling point
- 422.202 · 422.202±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
- 8.379 · 8.379±0.30(predicted)
- 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.
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
- 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
Upstream & downstream products
Upstream raw materials
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Compound notes
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