5-Bromo-2-iodopyridine

HCID 593690CAS 223463-13-6

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Grundinformationen

Standard-SMILES: Brc1ccc(I)nc1
InChIKey: HSNBRDZXJMPDGH-UHFFFAOYSA-N
Summenformel: C5H3BrIN
Durchschnittliche Molmasse: 283,89 g/mol
Monoisotopische Masse: 282,8493592

Namen und Bezeichner

Bevorzugter Name: 5-Bromo-2-iodopyridine
IUPAC: 5-bromo-2-iodopyridine
Englischer Name: 5-Bromo-2-iodopyridine
Summenformel: C5H3BrIN
Molmasse: 283.89

Namen und Synonyme

5-Bromo-2-iodopyridine223463-13-6DTXSID40343988RefChem:102134DTXCID90295064606-990-62-iodo-5-bromopyridine2-iodo-5-bromo-pyridineMFCD006915065-Bromo-2-iodo-pyridine2-iodo- -5-bromo pyridineSCHEMBL239871

Weitere Namen anzeigen

CAS:223463-13-65-Brom-2-iodpyridin5-bromo-2-lodopyridine5-BROMO-2-IDIOPYRIDINE5-CroMo-2-iodopyridine2-iodine-5-broMopyridine5-Bromo-2-Iodopyridine99%

AKOS005137883CS-W002668HY-W002668AS-3077Pyridine, 5-bromo-2-iodo-Pyridine, 5-br(E)-methyl3-(4-bromophenyl)acrylate2-iodo-5-bromo pyridine

Datenbank-Bezeichner

CAS: 223463-13-6
PubChem CID: 593690
DTXSID: DTXSID40343988
EC Number: 606-990-6
Nikkaji: J1.495.366C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,2
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: 113 · 113-117 °C (lit.)
Siedepunkt: 258.8 · 258.8±20.0 °C(Predicted)
Dichte: 2.347 · 2.347±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: DMSO, Methanol (Slightly)
pka: -0.51 · -0.51±0.10(Predicted)
Aggregatzustand: Crystalline Powder
Farbe: White to beige
BRN: 2119 · 2119
Stabilität: Light Sensitive
InChI: InChI=1S/C5H3BrIN/c6-4-1-2-5(7)8-3-4/h1-3H
InChIKey: HSNBRDZXJMPDGH-UHFFFAOYSA-N
SMILES: C1(I)=NC=C(Br)C=C1
CAS Datenbank: 223463 · 223463-13-6(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 49 reports by companies from 9 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: 26-36-37/39
hazard_class: IRRITANT, LIGHT SENSITIVE
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden5-Bromo-2-iodopyridine may be used in the synthesis of the following:5-bromopyridyl-2-magnesium chloride via reaction with isopropylmagnesium chloride solution5-bromo-2-pyridylzinc iodide via treatment with active zinc in tetrahydrofuran5-bromo-2-(trifluoromethyl)pyridine via halogen/trifluoromethyl displacement reaction(5-bromopyridin-2-yl)zinc(II) chloride via multi-step synthesis5,5′-dibromo-2,2′-bipyridine via multi-step synthesis