4-IODO-3-NITROTOLUENE

The 4-Iodo-3-nitrotoluene, with the CAS registry number 5326-39-6, is also known as 3-Nitro-4-iodotoluene. It belongs to the product categories of Aromatic Hydrocarbons (substituted) & Derivatives; Halogen Toluene; Nitro Compounds; Nitrogen Compounds; Organic Building Blocks. This chemical's molecular formula is C₇H₆INO₂ and molecular weight is 263.03251. Its IUPAC name is called 1-iodo-4-methyl-2-nitrobenzene. What's more, the product should be sealed and stored in cool and dry place.

Physical properties of 4-Iodo-3-nitrotoluene: (1)ACD/LogP: 3.22; (2)ACD/LogD (pH 5.5): 3.22; (3)ACD/LogD (pH 7.4): 3.22; (4)ACD/BCF (pH 5.5): 165.79; (5)ACD/BCF (pH 7.4): 165.79; (6)ACD/KOC (pH 5.5): 1350.12; (7)ACD/KOC (pH 7.4): 1350.12; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.643; (11)Molar Refractivity: 50.53 cm³; (12)Molar Volume: 139.6 cm³; (13)Surface Tension: 52.5 dyne/cm; (14)Density: 1.883 g/cm³; (15)Flash Point: 134.8 °C; (16)Enthalpy of Vaporization: 51.78 kJ/mol; (17)Boiling Point: 299.3 °C at 760 mmHg; (18)Vapour Pressure: 0.00213 mmHg at 25°C.

Uses of 4-Iodo-3-nitrotoluene: it can be used to produce 4,4'-dimethyl-2,2'-dinitro-biphenyl at temperature of 180 °C. This reaction will need reagent copper-powder.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is harmful by inhalation, in contact with skin and if swallowed. In addition, it is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC(=C(C=C1)I)[N+](=O)[O-]
(2)InChI: InChI=1S/C7H6INO2/c1-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3
(3)InChIKey: DKYCDXAZCHMPSJ-UHFFFAOYSA-N