5-CHLORO-2-IODOBENZOTRIFLUORIDE

The Benzene,4-chloro-1-iodo-2-(trifluoromethyl)-, with the CAS registry number 23399-77-1, is also known as 5-Chloro-2-iodobenzotrifluoride 98%. It belongs to the product categories of Chlorine Compounds; Fluorine Compounds; Iodine Compounds. This chemical's molecular formula is C₇H₃ClF₃I and molecular weight is 306.4514. Its systematic name is called 4-chloro-1-iodo-2-(trifluoromethyl)benzene. This chemical is clear slightly brown to brown liquid after melting.

Physical properties of Benzene,4-chloro-1-iodo-2-(trifluoromethyl)-: (1)ACD/LogP: 4.74; (2)ACD/LogD (pH 5.5): 4.74; (3)ACD/LogD (pH 7.4): 4.74; (4)ACD/BCF (pH 5.5): 2358.13; (5)ACD/BCF (pH 7.4): 2358.13; (6)ACD/KOC (pH 5.5): 9029.86; (7)ACD/KOC (pH 7.4): 9029.86; (8)Index of Refraction: 1.537; (9)Molar Refractivity: 49.03 cm³; (10)Molar Volume: 156.9 cm³; (11)Surface Tension: 32.9 dyne/cm; (12)Density: 1.952 g/cm³; (13)Flash Point: 86.6 °C; (14)Enthalpy of Vaporization: 43.75 kJ/mol; (15)Boiling Point: 219.6 °C at 760 mmHg; (16)Vapour Pressure: 0.175 mmHg at 25°C.

Uses of Benzene,4-chloro-1-iodo-2-(trifluoromethyl)-: it can be used to produce 4,4'-dichloro-2,2'-bis-trifluoromethyl-biphenyl by heating. This reaction will need reagent copper bronze. The yield is about 56%.

When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact and may cause inflammation to the skin or other mucous membranes. It may vauses burns. 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. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: Ic1c(cc(Cl)cc1)C(F)(F)F
(2)InChI: InChI=1/C7H3ClF3I/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3H
(3)InChIKey: DRMQJFVDZWIKTE-UHFFFAOYAN