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HCID 44534Erstellt: 25. Oktober 2026

1-Bromo-3,5-dinitrobenzene

3,5-Dinitrobromobenzene · -BROMO-3,5-DINITROBENZENE · 5-Bromo-1,3-dinitrobenzene · 1-Bromo-3,5-dinitro-benzene · Benzene, 1-broMo-3,5-dinitro- · 1-Bromo-3,5-dinitrobenzene 99% · 1-Bromo-3,5-Dinitrobenzene,>98%

https://huagongshe.com/de/chemical/44534

Molekülstruktur von 1-Bromo-3,5-dinitrobenzene

Identifikatoren & physikalische Daten

CAS No.18242-39-2
SummenformelC6H3BrN2O4
Durchschnittliche Molmasse247 g/mol
Monoisotopische Masse245,92761868 g/mol
SMILESO=[N+]([O-])c1cc(Br)cc([N+](=O)[O-])c1
InChIKeyOLDMYNWXIGPOCI-UHFFFAOYSA-N
PubChem CID44534
EC No.804-805-5
DTXSIDDTXSID50864816

Chemische & physikalische Eigenschaften

XLogP2
Polarare Oberfläche (TPSA)91,6
H-Brücken-Donoren0
H-Brücken-Akzeptoren4
Frei drehbare Bindungen0
Schwere Atome13
Formalladung0
Komplexität202
Schmelzpunkt75-76℃
Siedepunkt309.3±22.0 °C(Predicted)
Dichte1.910
LagerbedingungenSealed in dry,Room Temperature
Löslichkeitsoluble in MethanolSlightly soluble in water.
AggregatzustandPowder
FarbeOff-white
InChIInChI=1S/C6H3BrN2O4/c7-4-1-5(8(10)11)3-6(2-4)9(12)13/h1-3H
InChIKeyOLDMYNWXIGPOCI-UHFFFAOYSA-N
SMILESC1(Br)=CC([N+]([O-])=O)=CC([N+]([O-])=O)=C1

Sicherheit & Vorschriften

GHS-EinstufungWarningH302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesAcute Tox. 4 (25%)
Zollcode2904990090
Gefahrenklasse6.1

Anwendungen & Verwendung

Verwenden

It is an important organic intermediate. It can be used in agrochemical, pharmaceutical and dyestuff field.