5-NITRO-1,3-BENZODIOXOLE
1,2-(Methylenedioxy)-4-nitrobenzene
CAS: 2620-44-2
Molecular Formula: C7H5NO4
5-NITRO-1,3-BENZODIOXOLE - Names and Identifiers
| Name | 1,2-(Methylenedioxy)-4-nitrobenzene |
| Synonyms | 5-Nitrobenzodioxole 5-nitro-3-benzodioxole 5-nitro-1,3-benzodioxole 5-NITRO-1,3-BENZODIOXOLE Methylenedioxynitrobenzene 3,4-METHYLENEDIOXYNITROBENZENE 1,2-Methylenedioxy-4-nitrobenzene 1,2-(Methylenedioxy)4-Nitrobenzene 1,2-(Methylenedioxy)-4-nitrobenzene 1,2-(METHYLENEDIOXY)-4-NITROBENZENE 3,4-(Methylenedioxy)-1-nitrobenzene Benzene, 1,2-(methylenedioxy)-4-nitro- 5-Nitro-1,3-benzodioxole~4-Nitro-1,2-(methylenedioxy)benzene |
| CAS | 2620-44-2 |
| EINECS | 220-055-6 |
| InChI | InChI=1/C7H5NO4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2 |
5-NITRO-1,3-BENZODIOXOLE - Physico-chemical Properties
| Molecular Formula | C7H5NO4 |
| Molar Mass | 167.12 |
| Density | 1.5216 (rough estimate) |
| Melting Point | 146-148 °C (lit.) |
| Boling Point | 295.67°C (rough estimate) |
| Flash Point | 289°F |
| Solubility | acetone: soluble2.5%, clear to slightly hazy, yellow |
| Vapor Presure | 0.00734mmHg at 25°C |
| Appearance | powder to crystal |
| Color | Light yellow to Yellow to Orange |
| BRN | 169063 |
| Refractive Index | 1.6280 (estimate) |
5-NITRO-1,3-BENZODIOXOLE - Risk and Safety
| Risk Codes | 20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. |
| Safety Description | 36 - Wear suitable protective clothing. |
| WGK Germany | 3 |
| TSCA | Yes |
| HS Code | 29329990 |
| Hazard Note | Irritant |
5-NITRO-1,3-BENZODIOXOLE - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| introduction | 1, 2-methylenedioxy-4-nitrobenzene is an aromatic nitro compound, which is widely used in production and life. In addition to traditional explosives, spices and dyes, it is also an important functional group for many medicines and pesticides. In addition, because the nitro group in the nitro compound is a highly active leader group, it is easy to convert into other functional groups, so it can synthesize complex target molecules through it, so it is the most important type of chemical raw material and synthesis intermediate. |
| preparation | compounds benzo [d][1,3] dioxolane 1a(0.5mmol,61mg),I2O5(2.5mmol,835mg),NaNO2(2.5mmol,173mg), 2mL CH3NO2 and 0.1mL of water are sequentially added to a 10mL sealed pressure tube in air. At 15 ℃, the reaction was carried out under severe magnetic stirring for 2 hours. TLC tracks the response. When the reaction is over, add anhydrous Na2SO3 to quench the reaction. First, 15mL of saturated Na2S2O3 was added to the reaction solution, the aqueous phase was washed with CH2Cl2(15mL × 3), the organic phase was combined, anhydrous Na2SO4 was dried, filtered, and the solvent of the filtrate was evaporated under reduced pressure. Column chromatography (ethyl acetate: petroleum ether = 1:5) was used to separate the light yellow solid 1,2-methylenedioxy-4-nitrobenzene 70mg with a yield of 84%. |
Last Update：2024-04-09 21:01:54
