102369

1,4-Dinitrobenzene

98%

• Synonym(s): p-dinitrobenzene, para-Dinitrobenzene
• Linear Formula: C₆H₄(NO₂)₂
• CAS Number: 100-25-4
• Molecular Weight: 168.11
• Beilstein: 1105828
• EC Number: 202-833-7
• MDL number: MFCD00007314
• UNSPSC Code: 12352100
• PubChem Substance ID: 24846575
• NACRES: NA.22

Properties

• Assay: 98%
• bp: 183.4 °C/34 mmHg (lit.)
• mp: 170-173 °C (lit.)
• solubility: alcohol: soluble 1g in 300ml; boiling water: soluble 1g in 555ml; cold water: soluble 1g in 12,500ml; benzene: very slightly soluble; chloroform: very slightly soluble; ethyl acetate: very slightly soluble
• density: 1.625 g/mL at 25 °C (lit.)
• SMILES string: [O-][N+](=O)c1ccc(cc1)[N+]([O-])=O
• InChI: 1S/C6H4N2O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H
• InChI key: FYFDQJRXFWGIBS-UHFFFAOYSA-N

Description

General description

Dinitrobenzene is commonly used in industrial explosives containing ammonium nitrate. 1,4-Dinitrobenzene forms negative molecular ion M-· by electron capture or charge exchange.

Application

1,4-Dinitrobenzene was used in a study to evaluate the ionization mechanism and solvent effect by novel atmospheric pressure photoionization mass spectrometry in negative ion mode for analysis of some compounds. 1,4-Dinitrobenzene can be used in synthesis of dyes and dye intermediates.

Preparation Note

One gram of 1,4-Dinitrobenzene dissolves in 12,500 ml cold water, 555 ml boiling water and 300 ml alcohol.

Safety Information

• Pictograms: GHS06,GHS08,GHS09
• Signal Word: Danger
• Hazard Statements: H300 + H310 + H330,H373,H410
• Precautionary Statements: P262 - P264 - P273 - P280 - P302 + P352 + P310 - P304 + P340 + P310
• Hazard Classifications: Acute Tox. 1 Dermal - Acute Tox. 1 Inhalation - Acute Tox. 2 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - STOT RE 2
• Storage Class Code: 6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
• WGK: WGK 3
• Flash Point(F): 302.0 °F - closed cup
• Flash Point(C): 150 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves