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HCID 75798Erstellt: 26. Oktober 2026

1,2-(Methylendioxy)-4-nitrobenzol

5-nitrobenzo[d][1,3]dioxole · 5-NITRO-1,3-BENZODIOXOLE · SKL012 · forOxolinicacid · NITROBENZODIOXOLE · 4-Nitrobenzodioxole · 5-Nitrobenzodioxole · 5-Nitro Pepper Ring

https://huagongshe.com/de/chemical/75798

Molekülstruktur von 1,2-(Methylendioxy)-4-nitrobenzol

Identifikatoren & physikalische Daten

CAS No.2620-44-2
SummenformelC7H5NO4
Durchschnittliche Molmasse167,12 g/mol
Monoisotopische Masse167,02185764 g/mol
SMILESO=[N+]([O-])c1ccc2c(c1)OCO2
InChIKeySNWQAKNKGGOVMO-UHFFFAOYSA-N
PubChem CID75798
ChEMBLCHEMBL379408
EC No.220-055-6
DTXSIDDTXSID5062558
Lokaler Name1,2-(Methylendioxy)-4-nitrobenzol

Chemische & physikalische Eigenschaften

XLogP1,4
Polarare Oberfläche (TPSA)64,3
H-Brücken-Donoren0
H-Brücken-Akzeptoren4
Frei drehbare Bindungen0
Schwere Atome12
Formalladung0
Komplexität190
StoffklassenNitrogen Compounds -> Other Aromatics (Nitrogen)
SpringerMaterials PropertiesDensity
Physical DescriptionYellow crystalline powder[Alfa Aesar MSDS]
Schmelzpunkt146-148 °C (lit.)
Siedepunkt295.67°C (rough estimate)
Dichte1.5216 (rough estimate)
Brechungsindex1.6280 (estimate)
Flammpunkt289 °F
LagerbedingungenStore at room temperature
Löslichkeitacetone: soluble2.5%, clear to slightly hazy, yellow
Aggregatzustandpowder to crystal
FarbeLight yellow to Yellow to Orange
BRN169063
InChI1S/C7H5NO4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2
InChIKeySNWQAKNKGGOVMO-UHFFFAOYSA-N
SMILES[O-][N+](=O)c1ccc2OCOc2c1
CAS Datenbank2620-44-2(CAS DataBase Reference)
NIST chemische Informationen1,3-Benzodioxole, 5-nitro-(2620-44-2)
EPA chemische Informationen1,3-Benzodioxole, 5-nitro- (2620-44-2)

Sicherheit & Vorschriften

GHS-EinstufungWarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
GefahrenübersichtAn irritantHarmful by ingestion, inhalation, and skin absorption[Alfa Aesar MSDS] See Piperonal. See Nitrobenzene.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Wassergefährdungsklasse (WGK)3
TSCA-Inventar-StatusTSCA listed
Zollcode29329990
R-Sätze (R)20/21/22
GefahrensymboleXn,Xi
hazard_noteIrritant
Sicherheitshinweise (S)36
Lagerklasse11 - Combustible Solids
GefahrenklasseAcute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral