5-Methyl-2-phenylpyridine

HCID 47467

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 27012-22-2
Standard SMILES: Cc1ccc(-c2ccccc2)nc1
InChIKey: ZYLPQYYLLRBVOK-UHFFFAOYSA-N
Molecular formula: C12H11N
Average molar mass: 169.22 g/mol
Monoisotopic mass: 169.08914935

Names & identifiers

Preferred name: 5-Methyl-2-phenylpyridine
IUPAC: 5-methyl-2-phenylpyridine
English name: 5-Methyl-2-phenyl-pyridine
Molecular formula: C12H11N
Molecular weight: 169.22

Names & synonyms

5-Methyl-2-phenylpyridine27012-22-2EINECS 248-163-9DTXSID00949783RefChem:537046DTXCID501377964248-163-95-METHYL-2-PHENYL-PYRIDINE2-phenyl-5-methylpyridineMFCD04114180Pyridine, 5-methyl-2-phenyl-3-methyl-6-phenylpyridine

Show more names

5-Methyl-2-phenyl-Pyridine: 4-(1-adamantyl)phenol: 29799-07-3

2-phenyl-5-methyl pyridine5-methyl-2-(phenyl)pyridineSCHEMBL40443364828-54-2DS-7491SY100654C744026-phenyl-3-picoline

Database identifiers

CAS: 27012-22-2、64828-54-2
PubChem CID: 47467
DTXSID: DTXSID00949783
EC Number: 248-163-9
Nikkaji: J308.433G

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 149

Physicochemical properties

Melting point: 53 to · 53.0 to 57.0 °C
Boiling point: 166 °C/16mmHg · 166°C/16mmHg(lit.)
Density: 1.03 · 1.030±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: powder to crystal
pka: 4.73 · 4.73±0.10(Predicted)
color: White to Orange to Green
λmax: 275 nm · 275nm(EtOH)(lit.)
InChI: InChI=1S/C12H11N/c1-10-7-8-12(13-9-10)11-5-3-2-4-6-11/h2-9H,1H3
InChIKey: ZYLPQYYLLRBVOK-UHFFFAOYSA-N
SMILES: C1(C2=CC=CC=C2)=NC=C(C)C=C1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
HS Code: 2933.39 · 2933.39.9200

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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 CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2933.39.9200
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362