2-Bromo-4-nitropyridine N-oxide

HCID 3904026

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Grundinformationen

CAS: 52092-43-0
Standard-SMILES: O=[N+]([O-])c1cc[n+]([O-])c(Br)c1
InChIKey: IRBDHXCXCSFNEQ-UHFFFAOYSA-N
Summenformel: C5H3BrN2O3
Durchschnittliche Molmasse: 218,99 g/mol
Monoisotopische Masse: 217,9327

Namen und Bezeichner

Bevorzugter Name: 2-Bromo-4-nitropyridine N-oxide
IUPAC: 2-bromo-4-nitro-1-oxidopyridin-1-ium
Englischer Name: 2-Bromo-4-nitropyridine 1-oxide
Summenformel: C5H3BrN2O3
Molmasse: 218.99

Namen und Synonyme

2-Bromo-4-nitropyridine N-oxideRefChem:466611661-534-352092-43-02-bromo-4-nitropyridine 1-oxide2-bromo-4-nitro-1-oxidopyridin-1-iumMFCD00160743SCHEMBL14243232-Bromo-4-nitropyridine-n-oxideAKOS005259387SY014602B3145

Weitere Namen anzeigen

Nsc1741302-BROMO-4-NITROPYRIDINE1N-OXIDE2-broMo-4-nitropyridine-1-O×ide2-Bromo-4-nitropyridine N-Oxide >2-bromo-4-nitro-1-oxidopyridin-1-ium2-broMo-4-nitro-1$l^{5}-pyridin-1-one2-Bromo-4-nitropyridine nitrogen oxide

2-Bromo-4-nitro-1-oxo-1lambda~5~-pyridine2-bromo-4-nitropyridin-1-ol2-BROMO-4-NITROPYRIDIN-1-IUM-1-OLATEPYRIDINE, 2-BROMO-4-NITRO-, 1-OXIDE2-Bromo-4-nitropyridine1-oxideMFCD001600743FT-0655220A828919

Datenbank-Bezeichner

CAS: 52092-43-0
PubChem CID: 3904026
DTXSID: DTXSID00397866
EC Number: 661-534-3
Nikkaji: J1.352.731H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,7
Polarare Oberfläche (TPSA): 71,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 160

Physikochemische Eigenschaften

Schmelzpunkt: 143 · 143-146°C
Siedepunkt: 430.2 · 430.2±25.0 °C(Predicted)
Dichte: 1.98 · 1.98±0.1 g/cm3(Predicted)
pka: -2.53 · -2.53±0.10(Predicted)
Aggregatzustand: powder to crystal
Farbe: Light orange to Yellow to Green
BRN: 145698 · 145698
InChI: InChI=1S/C5H3BrN2O3/c6-5-3-4(8(10)11)1-2-7(5)9/h1-3H
InChIKey: IRBDHXCXCSFNEQ-UHFFFAOYSA-N
SMILES: C1(Br)[N+]([O-])=CC=C([N+]([O-])=O)C=1
CAS Datenbank: 52092 · 52092-43-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (88.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (88.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (11.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 3 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.