alpha-Phenyl-4-pyridinemethanol
Basic information
- CAS
33974-27-5- Standard SMILES
OC(c1ccccc1)c1ccncc1- InChIKey
MYKGGGPMKINROD-UHFFFAOYSA-N- Molecular formula
- C12H11NO
- Average molar mass
- 185.22 g/mol
- Monoisotopic mass
- 185.08406397
Names & identifiers
- Preferred name
- alpha-Phenyl-4-pyridinemethanol
- IUPAC
- phenyl(pyridin-4-yl)methanol
- English name
- Phenyl(4-pyridyl)methanol
- Molecular formula
- C12H11NO
- Molecular weight
- 185.22
Names & synonyms
33974-27-5alpha-Phenyl-4-pyridinemethanolDTXSID901310433RefChem:555917DTXCID201740281phenyl(pyridin-4-yl)methanolPhenyl(4-pyridyl)methanolMFCD00277656Phenyl(pyridin-4-yl);methanolalpha-Phenylpyridine-4-methanolphenyl(4-pyridinyl)methanolMLS001242716
Show more names
4-(α-Hydroxybenzyl)pyridineα-Phenyl-4-pyridinemethanolα-Phenyl-4-pyridinemethanolα-(4-Pyridyl)benzenemethanol4-Pyridinemethanol, α-phenyl-α-(4-Pyridinyl)benzyl alcohol
SMR0008414714-(alpha-Hydroxybenzyl)pyridinealpha-(4-Pyridyl)benzenemethanolalpha-(4-Pyridinyl)benzyl alcoholNSC98955EINECS 251-770-1Phenyl(pyridin-4-yl)phenyl-4-pyridylmethanol
Database identifiers
- CAS
33974-27-5- PubChem CID
- 98305
- DTXSID
DTXSID901310433- ChEMBL
CHEMBL1514459- EC Number
- 251-770-1
- Nikkaji
- J287.839I
Properties
Computed structural properties
- XLogP
- 1.7
- 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
- 160
Physicochemical properties
- Melting point
- 124 °C · 124 °C
- Boiling point
- 353.5 · 353.5±27.0 °C(Predicted)
- Density
- 1.155 · 1.155±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 12 · 12+-.0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
- HS Code
- 2933399990 · 2933399990
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%)
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Related reactions
1 records
Compound notes
Loading…