2-(4-Methoxyphenyl)pyridine

HCID 220239CAS 5957-90-4

Substructure search Find similar structures

Basic information

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 Å²
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

GHS classification

GHS Classification · 4 items

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