CAS 2369-18-8 2-Fluoro-3-methylpyridine (HCID 242722)

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Basic information

CAS: 2369-18-8
Standard SMILES: Cc1cccnc1F
InChIKey: PHGXUFPYCAWEHK-UHFFFAOYSA-N
Molecular formula: C6H6FN
Average molar mass: 111.12 g/mol
Monoisotopic mass: 111.04842741

Names & identifiers

Preferred name: 2-Fluoro-3-methylpyridine
IUPAC: 2-fluoro-3-methylpyridine
English name: 2-Fluoro-3-methylpyridine
Molecular formula: C6H6FN
Molecular weight: 111.12

Names & synonyms

2-Fluoro-3-methylpyridine2369-18-8DTXSID70287568RefChem:87058DTXCID10238716624-901-9PHGXUFPYCAWEHK-UHFFFAOYSA-N2-Fluoro-3-picolinePyridine, 2-fluoro-3-methyl-MFCD000412232-fluoro-3-methyl-pyridine2-Fluoro-3-Methyl Pyridine

Show more names

2-Fluoro-3-picoline,98%2-fluoro-3-methypyridine2-Fluoro-3-methylpyridine>2-Fluoro-3-methylpyridine98%2-FLUORO-3-METHYLPYRIDINE 97%2-Fluoro-3-methyl pyridine ,97%2-Fluoro-3-methylpyridine ISO 9001：2015 REACH

NSC51591SCHEMBL77971SCHEMBL230263SCHEMBL751711orb3030005SCHEMBL3056526SCHEMBL309371832-Fluoro-3-methylpyridine, 97%

Database identifiers

CAS: 2369-18-8
PubChem CID: 242722
DTXSID: DTXSID70287568
EC Number: 624-901-9
Nikkaji: J149.518F

Properties

Computed structural properties

XLogP: 1.7
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

Physicochemical properties

Boiling point: 154 · 154-155 °C (lit.)
Density: 1.098 g/mL · 1.098 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.476(lit.)
Flash point: 119 °F · 119 °F
storage temp.: 2 · Inert atmosphere,2-8°C
pka: -0.14 · -0.14±0.10(Predicted)
form: clear liquid
color: Colorless to Light orange to Yellow
Specific Gravity: 1.098 · 1.098
BRN: 1877 · 1877
InChI: 1S/C6H6FN/c1-5-3-2-4-8-6(5)7/h2-4H,1H3
InChIKey: PHGXUFPYCAWEHK-UHFFFAOYSA-N
SMILES: Cc1cccnc1F
CAS DataBase Reference: 2369 · 2369-18-8(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (88%): 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 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (88%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 1993 3/PG 3
hs_code: 29333990
risk_code: 10-36/37/38-20/21/22-1020/21/2236/37/38
Signal word: Warning
Symbol(GHS): GHS02,GHS07
hazard_code: Xi,F,Xn
hazard_note: Irritant
safety_code: 26-36-36/37/39-16-16 26 36/37/39
hazard_class: IRRITANT, FLAMMABLE
Storage Class: 3 - Flammable liquids
packing_group: Ⅲ
target organs: Respiratory system
Hazard statements: H226-H315-H319-H335

Chemistry & industry

Applications · 2 items

Uses2-Fluoro-3-methylpyridine may be used in the preparation of:2-phenyl-3-methylpyridine2-(4-chlorophenyl)-3-methylpyridine2-(4-fluorophenyl)-3-methylpyridine2-fluoronicotinic acid

General Description2-Fluoro-3-methylpyridine, also known as 2-fluoro-3-picoline, can be prepared by reacting 2-amino-3-methylpyridine and 40% fluoroboric acid.2 The signs of the long range coupling constants of 2-fluoro-3-methylpyridine have been obtained by double and triple resonance techniques.