1-IODO-3,5-DINITROBENZENE

The Benzene,1-iodo-3,5-dinitro-, with the CAS registry number 6276-04-6, is also known as 3,5-Dinitroiodobenzene. It belongs to the product categories of Aromatic Ethers; G-H-I; Stains and Dyes; Stains & Dyes. This chemical's molecular formula is C₆H₃IN₂O₄ and molecular weight is 294.00. What's more, its IUPAC name is 1-iodo-3,5-dinitrobenzene. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. What's more, it should be protected from light.

Physical properties of Benzene,1-iodo-3,5-dinitro- are: (1)ACD/LogP: 2.57; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 91.64 Å²; (7)Index of Refraction: 1.699; (8)Molar Refractivity: 52.25 cm³; (9)Molar Volume: 135.1 cm³; (10)Polarizability: 20.71×10^-24cm³; (11)Surface Tension: 72 dyne/cm; (12)Density: 2.174 g/cm³; (13)Flash Point: 163.1 °C; (14)Enthalpy of Vaporization: 56.68 kJ/mol; (15)Boiling Point: 346 °C at 760 mmHg; (16)Vapour Pressure: 0.000118 mmHg at 25°C.

Preparation of Benzene,1-iodo-3,5-dinitro-: this chemical can be prepared by 1,3-dinitro-benzene at the temperature of 170 °C. This reaction will need reagent "I(1+)" and solvent aq. H₂SO₄ with the reaction time of 2.5 hours. The yield is about 37%.

Uses of Benzene,1-iodo-3,5-dinitro-: it can be used to produce 1-iodo-3,5-dinitro-2-nitromethyl-benzene at the ambient temperature. It will need reagent lithium tert-butoxide (LiOtBu) and various solvents with the reaction time of 24 hours. The yield is about 36%.

When you are using this chemical, please be cautious about it as the following:
It may cause sensitisation by inhalation and skin contact. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you should seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(C=C(C=C1[N+](=O)[O-])I)[N+](=O)[O-]
(2)InChI: InChI=1S/C6H3IN2O4/c7-4-1-5(8(10)11)3-6(2-4)9(12)13/h1-3H
(3)InChIKey: AISNAASNOWRWIR-UHFFFAOYSA-N