3-IODO-4-NITROANISOLE

The Benzene, 2-iodo-4-methoxy-1-nitro-, with the CAS registry number 214279-40-0, is also known as 3-Iodo-4-nitroanisole. It belongs to the product category of Aromatic Ethers. This chemical's molecular formula is C₇H₆INO₃ and molecular weight is 279.03. What's more, its IUPAC name is 2-Iodo-4-methoxy-1-nitrobenzene. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about Benzene, 2-iodo-4-methoxy-1-nitro- are: (1)ACD/LogP: 2.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.63; (4)ACD/LogD (pH 7.4): 2.63; (5)ACD/BCF (pH 5.5): 58.31; (6)ACD/BCF (pH 7.4): 58.31; (7)ACD/KOC (pH 5.5): 639.06; (8)ACD/KOC (pH 7.4): 639.06; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 55.05 Å²; (13)Index of Refraction: 1.629; (14)Molar Refractivity: 52.38 cm³; (15)Molar Volume: 147.3 cm³; (16)Polarizability: 20.76×10^-24 cm³; (17)Surface Tension: 51.6 dyne/cm; (18)Density: 1.893 g/cm³; (19)Flash Point: 166.8 °C; (20)Enthalpy of Vaporization: 57.34 kJ/mol; (21)Boiling Point: 352.1 °C at 760 mmHg; (22)Vapour Pressure: 7.95E-05 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is harmful by inhalation, in contact with skin and if swallowed. And it is Irritating to eyes. In addition, this chemical has danger of cumulative effects. Besides, the dust of this chemical can not be breathed. During using it, wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1) SMILES: Ic1c(ccc(OC)c1)[N+]([O-])=O
(2) InChI: InChI=1/C7H6INO3/c1-12-5-2-3-7(9(10)11)6(8)4-5/h2-4H,1H3
(3) InChIKey: NLTAHTYBZZSCIT-UHFFFAOYAU