1,2-DIMETHOXY-4,5-DINITROBENZENE

The Benzene,1,2-dimethoxy-4,5-dinitro-, with the CAS registry number 3395-03-7, is also known as 4,5-Dimethoxy-1,2-dinitrobenzene. It belongs to the product categories of Miscellaneous; Aromatics Compounds; Aromatics. This chemical's molecular formula is C₈H₈N₂O₆ and molecular weight is 228.16. What's more, its systematic name is 1,2-dimethoxy-4,5-dinitrobenzene. It is stable at common pressure and temperature, and it should be sealed and stored in a cool, ventilated and dry place. What's more, it should be protected from light.

Physical properties of Benzene,1,2-dimethoxy-4,5-dinitro- are: (1)ACD/LogP: 2.51; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 8; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 110.1 Å²; (7)Index of Refraction: 1.567; (8)Molar Refractivity: 52.7 cm³; (9)Molar Volume: 161.1 cm³; (10)Polarizability: 20.89×10^-24cm³; (11)Surface Tension: 51.4 dyne/cm; (12)Density: 1.416 g/cm³; (13)Flash Point: 205.7 °C; (14)Enthalpy of Vaporization: 63.7 kJ/mol; (15)Boiling Point: 410.4 °C at 760 mmHg; (16)Vapour Pressure: 1.43E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by 1,2-dimethoxy-benzene at the temperature of 0 °C. This reaction will need reagent NO₂, O₂ and solvent 1,2-dichloro-ethane with the reaction time of 24 hours. This reaction will also need catalyst Fe(acac)₃. The yield is about 93%.

Uses of Benzene,1,2-dimethoxy-4,5-dinitro-: it can be used to produce 1-nitro-2-ethoxy-4,5-dimethoxybenzene at the temperature of 20 °C. It will need solvent dimethylsulfoxide with the reaction time of 3 hours. The yield is about 86%.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. When heated, it may cause an explosion. You should not breathe dust. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cc(OC)c(OC)cc1[N+]([O-])=O
(2)InChI: InChI=1S/C8H8N2O6/c1-15-7-3-5(9(11)12)6(10(13)14)4-8(7)16-2/h3-4H,1-2H3
(3)InChIKey: WFDHPWTYKOAFBJ-UHFFFAOYSA-N