2-Fluoro-4-iodopyridine

HCID 7023570

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Grundinformationen

CAS: 22282-70-8
Standard-SMILES: Fc1cc(I)ccn1
InChIKey: ADPRIAVYIGHFSO-UHFFFAOYSA-N
Summenformel: C5H3FIN
Durchschnittliche Molmasse: 222,99 g/mol
Monoisotopische Masse: 222,92942532

Namen und Bezeichner

Bevorzugter Name: 2-Fluoro-4-iodopyridine
IUPAC: 2-fluoro-4-iodopyridine
Englischer Name: 2-Fluoro-4-iodopyridine
Summenformel: C5H3FIN
Molmasse: 222.99

Namen und Synonyme

2-Fluoro-4-iodopyridine22282-70-8DTXSID80427514RefChem:87079DTXCID10378348681-832-74-Iodo-2-fluoropyridine2-fluoro-4-iodo-pyridineMFCD03092926Pyridine, 2-fluoro-4-iodo-CS-B0944ZB1367

Weitere Namen anzeigen

uoro-4-iodopyridine2-Fluor-4-iodopyridine2-Fluoro-4-iodopyridine>2-Fluoro-4-iodopyridine AldrichCPR2-Fluoro-4-iodopyridine ISO 9001：2015 REACH

AC-4556PS-7808F07732-fluoro-4-iodo pyridinefluoro-4-iodo pyridineA4789AM20050963SCHEMBL256099

Datenbank-Bezeichner

CAS: 22282-70-8
PubChem CID: 7023570
DTXSID: DTXSID80427514
EC Number: 681-832-7
Nikkaji: J566.223K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 12,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 78,8

Physikochemische Eigenschaften

Schmelzpunkt: 57 °C · 57 °C
Siedepunkt: 223 · 223.0±20.0 °C(Predicted)
Dichte: 2.046 · 2.046±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: soluble in Methanol
Aggregatzustand: powder to crystal
pka: -1.81 · -1.81±0.10(Predicted)
Farbe: White to Light yellow
InChI: InChI=1S/C5H3FIN/c6-5-3-4(7)1-2-8-5/h1-3H
InChIKey: ADPRIAVYIGHFSO-UHFFFAOYSA-N
SMILES: C1(F)=NC=CC(I)=C1
CAS Datenbank: 22282 · 22282-70-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)

Sicherheitsdaten

hs_code: 2933399990
risk_code: 20/21/22-36/37/38-22
hazard_code: Xn
hazard_note: Harmful
safety_code: 22-26-36/37/39
hazard_class: IRRITANT

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2-Fluoro-4-iodopyridine serves as a key building block in organic synthesis[6]. The compound acts as a precursor for synthesizing secondary alcohols via iodo–magnesium exchange with isopropyl magnesium chloride, followed by reaction with substituted benzaldehydes[6][8]. It undergoes palladium-catalyzed coupling with aryl or alkyl amines using Pd(OAc)2 and BINAP in anhydrous toluene with K2CO3 as base[7]. 2-Fluoro-4-iodopyridine functions as a starting material for multi-step synthetic routes, including the preparation of thrombin inhibitor analogues.