2-FLUORO-6-IODOBENZOYL CHLORIDE 97

The Benzoyl chloride,2-fluoro-6-iodo-, with its CAS registry number 111771-12-1, has the systematic name of 2-fluoro-6-iodobenzoyl chloride. And it has the molecular formula of C₇H₃ClFIO and molecular weight of 284.451. Besides, it belongs to the product categories which include Benzoic acid; Acid Halides; Carbonyl Compounds; Organic Building Blocks.

The characteristics of Benzoyl chloride,2-fluoro-6-iodo- are as follows: (1)ACD/LogP: 2.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.45; (4)ACD/LogD (pH 7.4): 2.45; (5)ACD/BCF (pH 5.5): 43.22; (6)ACD/BCF (pH 7.4): 43.22; (7)ACD/KOC (pH 5.5): 515.79; (8)ACD/KOC (pH 7.4): 515.79; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.611; (14)Molar Refractivity: 49.39 cm³; (15)Molar Volume: 142.1 cm³; (16)Polarizability: 19.58×10^-24cm³; (17)Surface Tension: 47.8 dyne/cm; (18)Density: 2.001 g/cm³; (19)Flash Point: 115.8 °C; (20)Enthalpy of Vaporization: 50.6 kJ/mol; (21)Boiling Point: 267.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00791 mmHg at 25°C.

When you are dealing with this chemical, you should be careful. For being a kind of corrosive which may destroy living tissue on contact, it may causes burns. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. If in case of contact with eyes, rinse immediately with plenty of water and seek medical advice, and if in case of accident or if you feel unwell, seek medical advice immediately (show the label where possible).

What's more, the following datas could be converted into the molecular structure:
(1)SMILES:O=C(Cl)c1c(F)cccc1I
(2)InChI:InChI=1/C7H3ClFIO/c8-7(11)6-4(9)2-1-3-5(6)10/h1-3H
(3)InChIKey:KUULKUHCAMRGCF-UHFFFAOYAN
(4)Std. InChI:InChI=1S/C7H3ClFIO/c8-7(11)6-4(9)2-1-3-5(6)10/h1-3H
(5)Std. InChIKey:KUULKUHCAMRGCF-UHFFFAOYSA-N