5-Bromo-2-chloro-1-oxo-1lambda~5~-pyridine

HCID 16218324

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Grundinformationen

CAS: 889865-43-4
Standard-SMILES: [O-][n+]1cc(Br)ccc1Cl
InChIKey: ZNOXDBXBFJQERJ-UHFFFAOYSA-N
Summenformel: C5H3BrClNO
Durchschnittliche Molmasse: 208,44 g/mol
Monoisotopische Masse: 206,90865

Namen und Bezeichner

Bevorzugter Name: 5-Bromo-2-chloro-1-oxo-1lambda~5~-pyridine
IUPAC: 5-bromo-2-chloro-1-oxidopyridin-1-ium
Englischer Name: 5-Bromo-2-chloropyridine N-oxide
Summenformel: C5H3BrClNO
Molmasse: 208.44

Namen und Synonyme

889865-43-4DTXSID205848775-Bromo-2-chloro-1-oxo-1lambda~5~-pyridineRefChem:301597DTXCID205356425-Bromo-2-chloropyridine 1-oxide5-Bromo-2-chloropyridine N-oxide5-bromo-2-chloro-1-oxidopyridin-1-iumMFCD092651085-Bromo-2-chloropyridine1-oxide5-BROMO-2-CHLOROPYRIDIN-1-IUM-1-OLATE5-bromo-2-chloropyridine-N-oxide

Weitere Namen anzeigen

133435Pyridine, 5-bromo-2-chloro-, 1-oxide5-Bromo-2-chloropyridine 1-oxide, 97%5-Bromo-2-chloropyridine N-oxide ISO 9001：2015 REACH

SCHEMBL1008408ZNOXDBXBFJQERJ-UHFFFAOYSA-NAKOS0160065415-Bromo-2-chloropyridine N-oxide, 97%AS-41354SY242864

Datenbank-Bezeichner

CAS: 889865-43-4
PubChem CID: 16218324
DTXSID: DTXSID20584877
EC Number: 693-968-4

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 25,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 103

Physikochemische Eigenschaften

Schmelzpunkt: 115 · 115-119 °C
storage temp.: 0 · Store at 0-8 °C
Aggregatzustand: solid
InChI: 1S/C5H3BrClNO/c6-4-1-2-5(7)8(9)3-4/h1-3H
InChIKey: ZNOXDBXBFJQERJ-UHFFFAOYSA-N
SMILES: [O-][n+]1cc(Br)ccc1Cl

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.