4-(4-Pyridinylmethyl)phenol
Basic information
- CAS
66414-18-4- Standard SMILES
Oc1ccc(Cc2ccncc2)cc1- InChIKey
FQNZRIMTMGOVMD-UHFFFAOYSA-N- Molecular formula
- C12H11NO
- Average molar mass
- 185.22 g/mol
- Monoisotopic mass
- 185.08406397
Names & identifiers
- Preferred name
- 4-(4-Pyridinylmethyl)phenol
- IUPAC
- 4-(pyridin-4-ylmethyl)phenol
Names & synonyms
4-(pyridin-4-ylmethyl)phenol66414-18-44-(4-pyridinylmethyl)PhenolDTXSID901309860RefChem:514507DTXCID901739726815-925-24-[(pyridin-4-yl)methyl]phenolPhenol, 4-(4-pyridinylmethyl)-4-Pyridin-4-ylmethyl-phenolSCHEMBL9128639FQNZRIMTMGOVMD-UHFFFAOYSA-N
Show more names
AKOS020791597DA-22456EN300-1074285Z1513816031
Database identifiers
- CAS
66414-18-4- PubChem CID
- 6424935
- DTXSID
DTXSID901309860- EC Number
- 815-925-2
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 158
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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