4-{(E)-[(4-methylphenyl)imino]methyl}phenol
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Basic information
- CAS
3230-51-1- Standard SMILES
Cc1ccc(N=Cc2ccc(O)cc2)cc1- InChIKey
LXUWDLKAQOFUGU-UHFFFAOYSA-N- Molecular formula
- C14H13NO
- Average molar mass
- 211.26 g/mol
Names & identifiers
- Preferred name
- 4-{(E)-[(4-methylphenyl)imino]methyl}phenol
- IUPAC
- 4-[(4-methylphenyl)iminomethyl]phenol
- English name
- ALPHA-(4-TOLYLIMINO)-P-CRESOL 96
- Molecular formula
- C14H13NO
- Molecular weight
- 211.26
Names & synonyms
3230-51-14-{(E)-[(4-methylphenyl)imino]methyl}phenolalpha-(4-Tolylimino)-p-cresol4-[(4-Methylphenyl)iminomethyl]phenol4-((P-Tolylimino)Methyl)Phenol4-[(E)-[(4-methylphenyl)imino]methyl]phenol4-[(E)-p-Tolyliminomethyl]phenol4-[(4-methylanilino)methylidene]cyclohexa-2,5-dien-1-oneCHEMBL2064682SCHEMBL11458614SCHEMBL11458615DTXSID60418768
Show more names
α-(4-Tolylimino)-p-cresolALPHA-(4-TOLYLIMINO)-P-CRESOL 96N-(4-Hydroxybenzylidene)-p-toluidineα-(4-Tolylimino)-p-cresol, CAS 3230-51-1Phenol, 4-[[(4-methylphenyl)imino]methyl]-
LXUWDLKAQOFUGU-UHFFFAOYSA-NLXUWDLKAQOFUGU-XNTDXEJSSA-N4-[N-(p-tolyl)formimidoyl]phenolBBL002789MFCD00029735STK373252AKOS001744157N-(p-hydroxy-benzylidene)-p-toluidine
Database identifiers
- CAS
3230-51-1- PubChem CID
- 611166
- DTXSID
DTXSID60418768- ChEMBL
CHEMBL2064682- EC Number
- 621-167-1
- Nikkaji
- J952.079A
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 32.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- Melting point
- 218 · 218-222 °C(lit.)
- Boiling point
- 385.366 · 385.366±35.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.045 · 1.045±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.93 · 8.930±0.10(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
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, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 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
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
2 records
Compound notes
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