Alpha-(2-pyridylmethylene)-O-cresol
Basic information
- CAS
19087-55-9- Standard SMILES
Oc1ccccc1/C=C/c1ccccn1- InChIKey
QXGALKDRRMKWHN-UHFFFAOYSA-N- Molecular formula
- C13H11NO
- Average molar mass
- 197.23 g/mol
- Monoisotopic mass
- 197.08406397
Names & identifiers
- Preferred name
- Alpha-(2-pyridylmethylene)-O-cresol
- IUPAC
- 2-[(E)-2-pyridin-2-ylethenyl]phenol
- English name
- 2-(2-Pyridin-2-yl-vinyl)-phenol
- Molecular formula
- C13H11NO
- Molecular weight
- 197.23
Names & synonyms
19087-55-9ALPHA-(2-PYRIDYLMETHYLENE)-O-CRESOLRefChem:555196668-123-82-[(E)-2-pyridin-2-ylvinyl]phenol77377-06-177403-53-32-(2-(Pyridin-2-yl)vinyl)phenol(E)-2-(2-HYDROXYSTYRYL)PYRIDINE2-[(1E)-2-(pyridin-2-yl)ethenyl]phenolPhenol, 2-[(1E)-2-(2-pyridinyl)ethenyl]-2-[(E)-2-pyridin-2-ylethenyl]phenol
Show more names
2-(2-Pyridin-2-yl-vinyl)-phenolPhenol, 2-[2-(2-pyridinyl)ethenyl]-
(E)-2-(2-(pyridin-2-yl)vinyl)phenolphenol, 2-[(E)-2-(2-pyridinyl)ethenyl]-MFCD000902662-[(E)-2-(pyridin-2-yl)ethenyl]phenolSCHEMBL708945SCHEMBL8783079CHEMBL5308126ALBB-023666
Database identifiers
- CAS
19087-55-9- PubChem CID
- 642844
- ChEMBL
CHEMBL5308126- EC Number
- 668-123-8
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Melting point
- 143 · 143-144 °C
- Boiling point
- 352.4 · 352.4±11.0 °C(Predicted)
- Density
- 1.2 · 1.200±0.06 g/cm3(Predicted)
- pka
- 9.63 · 9.63±0.35(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H315-H335
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H318-H315-H335
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…