2-Iodopyridine

HCID 221126CAS 5029-67-4

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Grundinformationen

Standard-SMILES: Ic1ccccn1
InChIKey: CCZWSTFVHJPCEM-UHFFFAOYSA-N
Summenformel: C5H4IN
Durchschnittliche Molmasse: 205 g/mol
Monoisotopische Masse: 204,93884713

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name: 2-Iodopyridine
IUPAC: 2-iodopyridine
Englischer Name: 2-Iodopyridine
Summenformel: C5H4IN
Molmasse: 205

Namen und Synonyme

2-Iodopyridine5029-67-4RefChem:87696610-520-52-Iodo-pyridinePyridine, iodo-2-pyridyl iodideiodopyridineMFCD00464928pyridine, 2-iodo-2-Iodopyridine, 98%CHEMBL3274303

Weitere Namen anzeigen

JACS-5029-67-42-lodopyridine2-Iodine Pyridine2-Iodopyridine 98%2-Iodopyridine 2-IODOPYRIDINE, 95+%2-Iodopyridine≥ 98% (GC)

DTXSID60903821AKOS015853921CS-W004126BP-10744SY013861I0533EN300-88338AM81300

Datenbank-Bezeichner

CAS: 5029-67-4
PubChem CID: 221126
DTXSID: DTXSID60903821
ChEMBL: CHEMBL3274303
EC Number: 610-520-5
Nikkaji: J151.448B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,4
Polarare Oberfläche (TPSA): 12,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 7
Formalladung: 0
Komplexität: 56

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesMolecular structure

Physikochemische Eigenschaften

Schmelzpunkt: 118 · 118-120℃
Siedepunkt: 52 °C · 52 °C (lit.)
Dichte: 1.928 g/mL · 1.928 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.6320(lit.)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: Solid
pka: 1 · pK1:1.82(+1) (25°C)
Farbe: Pale yellow
Wasserlöslichkeit: Slightly soluble in water.
InChI: InChI=1S/C5H4IN/c6-5-3-1-2-4-7-5/h1-4H
InChIKey: CCZWSTFVHJPCEM-UHFFFAOYSA-N
SMILES: C1(I)=NC=CC=C1
CAS Datenbank: 5029 · 5029-67-4(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 42 reports by companies from 5 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
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2-Iodopyridine can be synthesized from 2-chloropyridine or 2-bromopyridine via treatment with iodotrimethylsilane.2-Iodopyridine is a halogenated building block. It is a reagent used in the preparation of human NAD+-dependent 15-hydroxyprostaglandin dehydrogenase inhibitors.