2-Fluoro-4-methylpyridine

HCID 2737403CAS 461-87-0

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Grundinformationen

Standard-SMILES: Cc1ccnc(F)c1
InChIKey: ZBFAXMKJADVOGH-UHFFFAOYSA-N
Summenformel: C6H6FN
Durchschnittliche Molmasse: 111,12 g/mol
Monoisotopische Masse: 111,04842741

Namen und Bezeichner

Bevorzugter Name: 2-Fluoro-4-methylpyridine
IUPAC: 2-fluoro-4-methylpyridine
Englischer Name: 2-Fluoro-4-methylpyridine
Summenformel: C6H6FN
Molmasse: 111.12

Namen und Synonyme

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

Weitere Namen anzeigen

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 12,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 74,9

Experimentelle und physikochemische Eigenschaften

SpringerMaterials Properties19F nuclear magnetic resonance spectrum

Physikochemische Eigenschaften

Siedepunkt: 160 · 160-161 °C (lit.)
Dichte: 1.078 g/mL · 1.078 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.472(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: Liquid
pka: 0.24 · 0.24±0.10(Predicted)
Wichte: 1.078 · 1.078
Farbe: 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 Datenbank: 461 · 461-87-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

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

Sicherheitsdaten

wgk: 3
ridadr: 1993
hs_code: 29333990
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36
hazard_class: 3
packing_group: III
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2-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