2-Chloro-5-iodopyridine

HCID 4397176CAS 69045-79-0

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Grundinformationen

Standard-SMILES: Clc1ccc(I)cn1
InChIKey: QWLGCWXSNYKKDO-UHFFFAOYSA-N
Summenformel: C5H3ClIN
Durchschnittliche Molmasse: 239,44 g/mol
Monoisotopische Masse: 238,89987478

Namen und Bezeichner

Bevorzugter Name: 2-Chloro-5-iodopyridine
IUPAC: 2-chloro-5-iodopyridine
Englischer Name: 2-Chloro-5-iodopyridine
Summenformel: C5H3ClIN
Molmasse: 239.44

Namen und Synonyme

2-Chloro-5-iodopyridine69045-79-0DTXSID90402837RefChem:469361DTXCID30353692627-359-12-chloro-5-iodo-pyridinePyridine, 2-chloro-5-iodo-MFCD018636352-chloro-5-iodo pyridine2-chloro-5 iodopyridine5-iodo-2-chloro-pyridine

Weitere Namen anzeigen

oro-5-iodopyridine2-CHORO-5-IODOPYRIDINE5-BroMo-5-iodopyridine2-Chloro-5-Iodine Pyridine2-Chloro-5-iodiodipyridine2-Chloro-5-iodopyridine,98%2-Chloro-5-iodopyridine >

STK688512HY-W002858PS-7597BP-11498C2341EN300-1008822-Chloro-5-indopyridineSCHEMBL17612

Datenbank-Bezeichner

CAS: 69045-79-0
PubChem CID: 4397176
DTXSID: DTXSID90402837
EC Number: 627-359-1
Nikkaji: J983.315C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,5
Polarare Oberfläche (TPSA): 12,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 78,8

Physikochemische Eigenschaften

Schmelzpunkt: 95 · 95-98 °C (lit.)
Siedepunkt: 253.2 · 253.2±20.0 °C(Predicted)
Dichte: 2.052 · 2.052±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: Crystalline Powder or Flakes
pka: -2 · -2.00±0.10(Predicted)
Farbe: Off-white to yellow-beige
Wasserlöslichkeit: insoluble
BRN: 108889 · 108889
InChI: 1S/C5H3ClIN/c6-5-2-1-4(7)3-8-5/h1-3H
InChIKey: QWLGCWXSNYKKDO-UHFFFAOYSA-N
SMILES: Clc1ccc(I)cn1
CAS Datenbank: 69045 · 69045-79-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

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

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

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29333990
risk_code: 36/37/38-20/22
hazard_code: Xi,Xn
hazard_note: Irritant/Light Sensitive
safety_code: 26-36-36/37/39-22
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2-Chloro-5-iodopyridine may be used as a reagent in the multi-step synthesis of (±)-epibatidine.It may be used in the synthesis of:2-Chloro-5-phenylpyridine via Suzuki coupling reaction with phenylboronic acid dimethyl ester.Exo-5- and exo-6- (6′-chloro-3′-pyridyl)-2-azabicyclo[2.2.1]heptanes via Heck coupling reaction with N-protected 2-azabicyclo[2.2.1]hept-5-enes.Substituted diaryliodonium salts.3-Exo-5′-(2′-Chloropyridinyl)-8-(ethoxycarbonyl)-8-azabicyclo[3.2.1]octane.