1,4-Dinitrobenzene
ALDRICH/102369 - 98%
Synonym: p-dinitrobenzene; para-Dinitrobenzene
CAS Number: 100-25-4
Empirical Formula (Hill Notation): C6H4N2O4
Molecular Weight: 168.11
EC Number: 202-833-7
MDL Number: MFCD00007314
Linear Formula: C6H4(NO2)2
Product Type: Chemical
| assay | 98% |
| bp | 183.4 °C/34 mmHg (lit.) |
| density | 1.625 g/mL at 25 °C (lit.) |
| functional group | nitro |
| InChI | 1S/C6H4N2O4/c9-7(10)5-1-2 |
| InChI key | FYFDQJRXFWGIBS-UHFFFAOYSA |
| mp | 170-173 °C (lit.) |
| Quality Level | 100  |
| SMILES string | [O-][N+](=O)c1ccc(cc1)[N+ |
| solubility | alcohol: soluble 1g in 300ml |
| benzene: very slightly soluble | |
| boiling water: soluble 1g in 555ml | |
| chloroform: very slightly soluble | |
| cold water: soluble 1g in 12,500ml | |
| ethyl acetate: very slightly soluble |
| 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. |
| 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. |
| Packaging: | 5 g in glass bottle |
| Preparation Note: | One gram of 1,4-Dinitrobenzene dissolves in 12,500 ml cold water, 555 ml boiling water and 300 ml alcohol. |
| Symbol |    GHS06,GHS08,GHS09 |
| Signal word | Danger |
| Hazard statements | H300 + H310 + H330 - H373 - H410 |
| Precautionary statements | P262 - P273 - P280 - P301 + P310 + P330 - P302 + P352 + P310 - P304 + P340 + P310 |
| Hazard Codes | T+,N |
| Risk Statements | 26/27/28-33-50/53 |
| Safety Statements | 28-36/37-45-60-61 |
| RIDADR | UN 3443 6.1 / PGII |
| WGK Germany | WGK 3 |
| Flash Point(F) | 302.0 °F - closed cup |
| Flash Point(C) | 150 °C - closed cup |
| Purity | 98% |
| bp | 183.4 °C/34 mmHg (lit.) |
| mp | 170-173 °C (lit.) |
| Density | 1.625 g/mL at 25 °C (lit.) |
| UNSPSC | 12352100 |