2-Fluoro-4-methylpyridine (HCID 2737403)

Names & identifiers

Preferred name: 2-Fluoro-4-methylpyridine
IUPAC: 2-fluoro-4-methylpyridine
English name: 2-Fluoro-4-methylpyridine
Molecular formula: C6H6FN
Molecular weight: 111.12

Names & synonyms

2-Fluoro-4-methylpyridine461-87-0DTXSID90372041ZBFAXMKJADVOGH-UHFFFAOYSA-RefChem:87085DTXCID50323074625-585-5InChI=1/C6H6FN/c1-5-2-3-8-6(7)4-5/h2-4H,1H3ZBFAXMKJADVOGH-UHFFFAOYSA-N2-Fluoro-4-picoline2-fluoro-4-methyl-pyridineMFCD00041224

Show more names

2-fluoro-4-methlpyridine4-methyl-2-fluoropyridine2-Fluoro-4-mehtylpyridine2-Fluoro-4-methylpyridine97%2-Fluoro-4-methylpyridine>Pyridine, 2-fluoro-4-methyl-2-FLUORO-4-METHYLPYRIDINE 98%2-Fluoro-4-methylpyridine,98%

2-fluoro-4-methyl pyridineSCHEMBL119822-Fluoro-4-methylpyridine, 98%AC-451AKOS005063631CS-W011273AB01854BP-21203

Database identifiers

CAS: 461-87-0
PubChem CID: 2737403
DTXSID: DTXSID90372041
EC Number: 625-585-5
Nikkaji: J594.817G

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 74.9

Experimental & physicochemical properties

SpringerMaterials Properties19F nuclear magnetic resonance spectrum

Physicochemical properties

Boiling point: 160 · 160-161 °C (lit.)
Density: 1.078 g/mL · 1.078 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.472(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 0.24 · 0.24±0.10(Predicted)
form: Liquid
Specific Gravity: 1.078 · 1.078
color: Colorless to pale yellow
BRN: 107086 · 107086
InChI: 1S/C6H6FN/c1-5-2-3-8-6(7)4-5/h2-4H,1H3
InChIKey: ZBFAXMKJADVOGH-UHFFFAOYSA-N
SMILES: Cc1ccnc(F)c1
CAS DataBase Reference: 461 · 461-87-0(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
RIDADR: 1993 · 1993
WGK Germany: 3 · 3
Hazard Note: Irritant
HazardClass: 3 · 3
PackingGroup: III
HS Code: 29333990 · 29333990
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (16%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (16%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: 1993
hs_code: 29333990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36
hazard_class: 3
Storage Class: 10 - Combustible liquids
packing_group: III
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 2 items

Uses2-Fluoro-4-methylpyridine may be used in the preparation of:2-Fluoro-4-(iodomethyl)pyridine4-(4-fluorophenyl)-5-(2-fluoropyridin-4-yl)-1,3-dihydroimidazol-2-thione2-fluoro-4-pyridinemethanol2-fluoro-4-pyridinemethanol, 4-methylbenzenesulfonate10,10-bis[(2-fluoro-4-pyridinyl)methyl]-9(10H)-anthracenone2-fluoro-3-iodo-5-methylpyridine2-fluoro-4-pyridinecarboxylic acid

General Description2-Fluoro-4-methylpyridine, also known as 2-fluoro-4-picoline, can be prepared based on Talik′s procedure from 2-amino-5-methylpyridine via diazotization. The effect of substituents on spectral properties of 2-fluoro-6-methylpyridine has been investigated based on 13C NMR, UV and IR spectral data.