2-(4-Methoxyphenyl)pyridine
Basic information
- CAS
5957-90-4- Standard SMILES
COc1ccc(-c2ccccn2)cc1- InChIKey
QUMXRZNAUFKBAS-UHFFFAOYSA-N- Molecular formula
- C12H11NO
- Average molar mass
- 185.22 g/mol
Names & identifiers
- Preferred name
- 2-(4-Methoxyphenyl)pyridine
- IUPAC
- 2-(4-methoxyphenyl)pyridine
- English name
- 2-(4-Methoxyphenyl)pyridine
- Molecular formula
- C12H11NO
- Molecular weight
- 185.22
Names & synonyms
2-(4-methoxyphenyl)pyridine5957-90-4RefChem:252585659-723-0Pyridine, 2-(4-methoxyphenyl)-MFCD000923332-(4-methoxyphenyl)-pyridineSCHEMBL9133932-(4-methoxy-phenyl)pyridineAKOS004117417SB67103AS-35679
Show more names
AKOS BAR-04962-(p-Methoxyphenyl)pyridine2-(4-Methoxyphenyl)pyridine>Pyridine, 2-(p-methoxyphenyl)- (7CI,8CI)
CS-0095830M21014-(2-Pyridyl)anisoleBB 02228242-(4-Methoxyphenyl)pyridinA869170SCHEMBL1202595SCHEMBL1435694
Database identifiers
- CAS
5957-90-4- PubChem CID
- 220239
- ChEMBL
CHEMBL2220852- EC Number
- 659-723-0
- Nikkaji
- J796.113H
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 22.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- Melting point
- 54 · 54-55℃
- Boiling point
- 127 · 127-130℃ (0.5 Torr)
- Density
- 1.077 · 1.077±0.06 g/cm3(Predicted)
- pka
- 5.2 · 5.20±0.25(Predicted)
- form
- powder to crystal
- color
- White to Almost white
- λmax
- 282 nm · 282nm(MeOH)(lit.)
- InChIKey
- QUMXRZNAUFKBAS-UHFFFAOYSA-N
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 315 · H315-H302-H335-H318
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
- 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
Danger
H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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 CategoriesAcute Tox. 4 (97.4%)
Safety data
- hs_code
- 2933399990
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H315-H302-H335-H318
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Related reactions
6 records
Compound notes
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