5-Bromo-2-chloropyridine

HCID 2734414CAS 53939-30-3

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Grundinformationen

Standard-SMILES: Clc1ccc(Br)cn1
InChIKey: PEAOEIWYQVXZMB-UHFFFAOYSA-N
Summenformel: C5H3BrClN
Durchschnittliche Molmasse: 192,44 g/mol
Monoisotopische Masse: 190,91373888

Namen und Bezeichner

Bevorzugter Name: 5-Bromo-2-chloropyridine
IUPAC: 5-bromo-2-chloropyridine
Englischer Name: 5-Bromo-2-chloropyridine
Summenformel: C5H3BrClN
Molmasse: 192.44

Namen und Synonyme

5-Bromo-2-chloropyridine53939-30-3PEAOEIWYQVXZMB-UHFFFAOYSA-DTXSID80370293RefChem:102119DTXCID60321329700-053-6InChI=1/C5H3BrClN/c6-4-1-2-5(7)8-3-4/h1-3HPEAOEIWYQVXZMB-UHFFFAOYSA-N2-Chloro-5-bromopyridineMFCD013189515-bromo-2-chloro-pyridine

Weitere Namen anzeigen

N-methyl-1-(pyridin-3-yl)methanamineCL0252-cholro-5-broMopyridine3-Bromo-6-chloropyridine5-Bromo-2-chloro pyridne5-bromo-2-chlorolpyridine2-chloro -5-pyridyl broMidePYRIDINE, 5-BROMO-2-CHLORO-

2-chloro-5-bromo-pyridine2-chloro-5-bromo pyridineSCHEMBL182768orb2940415SCHEMBL7969354SCHEMBL9480525SCHEMBL19209881SCHEMBL31742499

Datenbank-Bezeichner

CAS: 53939-30-3
PubChem CID: 2734414
DTXSID: DTXSID80370293
EC Number: 700-053-6
Nikkaji: J1.147.190K

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: 65 · 65-69 °C (lit.)
Siedepunkt: 208.1 · 208.1±20.0 °C(Predicted)
Dichte: 1.7783 · 1.7783 (rough estimate)
Brechungsindex: 1.54 · 1.5400 (estimate)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: -2.25 · -2.25±0.10(Predicted)
Aggregatzustand: Crystalline Powder or Crystals
Farbe: Off-white
BRN: 108887 · 108887
InChI: InChI=1S/C5H3BrClN/c6-4-1-2-5(7)8-3-4/h1-3H
InChIKey: PEAOEIWYQVXZMB-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=C(Br)C=C1
CAS Datenbank: 53939 · 53939-30-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 1.3% (1 of 77) of reports.

Warning

H315 (98.7%): 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 77 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 (98.7%)

Sicherheitsdaten

wgk: 3
tsca: T
hs_code: 29333990
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36-37/39-36/37/39
hazard_class: IRRITANT, IRRITANT-HARMFUL

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden5-Bromo-2-chloropyridine may be used in the preparation of following compounds: Amino-2-chloropyridine via palladium-catalyzed amination. 5-Bromo-2-fluoropyridine via halogen-exchange reaction using anhydrous potassium fluoride.2-Chloro-5-(2,5-dimethoxyphenyl)pyridine via Suzuki coupling with 2,5-dimethoxyphenylboronic acid.