126632

1,2-Dinitrobenzene

97%

• Synonym(s): o-Dinitrobenzene
• Linear Formula: C₆H₄(NO₂)₂
• CAS Number: 528-29-0
• Molecular Weight: 168.11
• Beilstein/REAXYS Number: 642224
• EC Number: 208-431-8
• MDL number: MFCD00007093
• UNSPSC Code: 12352100
• PubChem Substance ID: 24847736
• NACRES: NA.22

Properties

• Quality Level: 100
• assay: 97%
• form: solid
• bp: 319 °C/773 mmHg (lit.)
• mp: 114-117 °C (lit.)
• functional group: nitro
• SMILES string: [O-][N+](=O)c1ccccc1[N+]([O-])=O
• InChI: 1S/C6H4N2O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H
• InChI key: IZUKQUVSCNEFMJ-UHFFFAOYSA-N

Description

General description

1,2-Dinitrobenzene (o-Dinitrobenzene) is one of the nitroaromatic compounds present in urine which has been studied using gas chromatography-mass spectrometry-selected ion monitoring methods†. The electrochemistry of 1,2-dinitrobenzene (o-Dinitrobenzene) is strongly affected by 1,3-diphenylurea.

Application

• A highly divergent Pictet-Spengler approach for pyrrolo quinoxalines from aryl amine using 1,2-dinitrobenzene as an oxidant: Discusses the utility of 1,2-dinitrobenzene as an oxidant in organic synthesis, relevant for developing novel pharmaceuticals (Pardeshi et al., 2019).

Safety Information

• pictograms: GHS06,GHS08,GHS09
• signalword: Danger
• hcodes: H300 + H310 + H330,H373,H410
• pcodes: P262 - P264 - P273 - P280 - P302 + P352 + P310 - P304 + P340 + P310
• Hazard Classifications: Acute Tox. 1 Dermal - Acute Tox. 2 Inhalation - Acute Tox. 2 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - STOT RE 2
• Storage Class: 6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
• wgk_germany: WGK 3
• flash_point_f: 302.0 °F - closed cup
• flash_point_c: 150 °C - closed cup