2,5-Dibromo-3-nitropyridine

HCID 298470CAS 15862-37-0

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Grundinformationen

Standard-SMILES: O=[N+]([O-])c1cc(Br)cnc1Br
InChIKey: OQKWPJCAKRVADO-UHFFFAOYSA-N
Summenformel: C5H2Br2N2O2
Durchschnittliche Molmasse: 281,89 g/mol
Monoisotopische Masse: 279,8483015

Namen und Bezeichner

Bevorzugter Name: 2,5-Dibromo-3-nitropyridine
IUPAC: 2,5-dibromo-3-nitropyridine
Englischer Name: 2,5-Dibromo-3-nitropyridine
Summenformel: C5H2Br2N2O2
Molmasse: 281.89

Namen und Synonyme

2,5-Dibromo-3-nitropyridine15862-37-0DTXSID20305387RefChem:82768DTXCID70256517808-084-82,5-Dibromo-3-nitro-pyridineMFCD09266223PYRIDINE, 2,5-DIBROMO-3-NITRO-NSC170627SCHEMBL202290SCHEMBL29600703

Weitere Namen anzeigen

5-Dibromo-3-nitropyridine2,5-Dibromo-3-nitropyridi...Pyridine,2,5-dibroMo-3-nitro-2,5-Dibromo-3-nitropyridine,98%2,5-Dibromo-3-nitropyridine >2,5-Dibromo-3-nitropyridine ,97%2,5-Dibromo-3-nitropyridine ISO 9001：2015 REACH

OQKWPJCAKRVADO-UHFFFAOYSA-NSBB065287AKOS005255313CS-W003617DS-0464NSC 170627NSC-170627PB16150

Datenbank-Bezeichner

CAS: 15862-37-0
PubChem CID: 298470
DTXSID: DTXSID20305387
EC Number: 808-084-8
Nikkaji: J1.453.077K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,4
Polarare Oberfläche (TPSA): 58,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 161

Physikochemische Eigenschaften

Schmelzpunkt: 92 to · 92.0 to 96.0 °C
Siedepunkt: 272.7 · 272.7±35.0 °C(Predicted)
Dichte: 2 · 2+-.0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Löslichkeit: soluble in Methanol
pka: -5.6 · -5.60±0.20(Predicted)
Aggregatzustand: Solid
Farbe: Yellow
InChI: InChI=1S/C5H2Br2N2O2/c6-3-1-4(9(10)11)5(7)8-2-3/h1-2H
InChIKey: OQKWPJCAKRVADO-UHFFFAOYSA-N
SMILES: C1(Br)=NC=C(Br)C=C1[N+]([O-])=O
CAS Datenbank: 15862 · 15862-37-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (33.3%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2811 6.1 / PGIII
hs_code: 2933399990
risk_code: 25
hazard_code: Xi,T
safety_code: 45
hazard_class: IRRITANT
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 Oral

Chemie und Industrie

Anwendungen

Verwenden2,5-Dibromo-3-nitropyridine is used as organic synthesis intermediate and pharmaceutical intermediate, mainly used in laboratory research and development process and chemical production process.

Darstellung · 1 Eintrag

synthetischesynthesis of 2,5-Dibromo-3-nitropyridine: To a suspension 5-bromo-3-nitro-pyridin-2-ol (20 g, 91.32 mmol) in toluene (100 ml) was added DMF (0.7 ml, 9.13 mmol) and the mixture was heated to 90C. (the reaction mixture was protected from light). A solution of POBr3 (31. 41 g, 109.51 mmol) in toluene (40 ml) was added dropwise at 90C. and the reaction mixture was stirred at that temperature for 16 h. The mixture was allowed to cool to room temperature and toluene (50 ml) and water (50 ml) were added. The organic layer was separated, washed successively with aqueous 1N NaOH (60 ml), water (60 ml) and brine (30 ml), dried with Na2SO4 and evaporated obtain 2,5-Dibromo-3-nitropyridine. Yellow solid, yield 25.2 g, 97%.