Basic information
- CAS
83659-86-3- Standard SMILES
Cc1ccc(C)c(N=Cc2ccccc2O)c1- InChIKey
QPXQTGFTSHXDAJ-UHFFFAOYSA-N- Molecular formula
- C15H15NO
- Average molar mass
- 225.28 g/mol
- Monoisotopic mass
- 225.1153641
Names & identifiers
- Preferred name
- Alpha-(2,5-xylylimino)-O-cresol
- IUPAC
- 2-[(2,5-dimethylphenyl)iminomethyl]phenol
- English name
- 2-{[(2,5-dimethylphenyl)imino]methyl}phenol
- Molecular formula
- C15H15NO
- Molecular weight
- 225.29
Names & synonyms
ALPHA-(2,5-XYLYLIMINO)-O-CRESOLRefChem:555164653-446-983659-86-32-{[(2,5-dimethylphenyl)imino]methyl}phenolPhenol, 2-[[(2,5-dimethylphenyl)imino]methyl]-(E)-2-(((2,5-dimethylphenyl)imino)methyl)phenol2-(((2,5-Dimethylphenyl)imino)methyl)phenolNSC132529Maybridge3_005783SCHEMBL802038SCHEMBL3365283
Show more names
2-{(E)-[(2,5-dimethylphenyl)imino]methyl}phenol
QPXQTGFTSHXDAJ-MHWRWJLKSA-NHMS1447G19(6Z)-6-[(2,5-dimethylanilino)methylidene]cyclohexa-2,4-dien-1-oneSTK049278AKOS000483921NSC-132529IDI1_0171702-[(2,5-dimethylphenyl)iminomethyl]phenol
Database identifiers
- CAS
83659-86-3- PubChem CID
- 280650
- EC Number
- 653-446-9
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 32.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 264
Physicochemical properties
- Melting point
- 107 · 107-108 °C
- Boiling point
- 385.5 · 385.5±37.0 °C(Predicted)
- Density
- 1.03 · 1.03±0.1 g/cm3(Predicted)
- pka
- 8.47 · 8.47±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 335 · H335-H302-H319-H315-H411
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H335-H302-H319-H315-H411
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers4 total
ARONIS[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SPECS[email protected]
VITAS-BB—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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