Benzene,1-iodo-3,5-bis(trifluoromethyl)- (328-73-4)

The 3,5-Bis(trifluoromethyl)iodobenzene with cas registry number of 328-73-4 belongs to the categories in Fluoro-contained Iodo series; Aromatic Hydrocarbons (substituted) & Derivatives; Miscellaneous; Aryl; C8; Halogenated Hydrocarbons. Both its systematic name and IUPAC name are the same which is called 1-iodo-3,5-bis(trifluoromethyl)benzene. This chemical is sensitive to light with appearance of clear light pink to yellow liquid. It is incompatible with strong oxidizing agents.

The physical properties about this chemical are: (1)ACD/LogP: 5.07; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.07; (4)ACD/LogD (pH 7.4): 5.07; (5)ACD/BCF (pH 5.5): 4224.81; (6)ACD/BCF (pH 7.4): 4224.81; (7)ACD/KOC (pH 5.5): 13707.13; (8)ACD/KOC (pH 7.4): 13707.13; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.462; (13)Molar Refractivity: 49.11 cm3; (14)Molar Volume: 178.5 cm3; (15)Surface Tension: 24.5 dyne/cm; (16)Density: 1.904 g/cm3; (17)Flash Point: 74.4 °C; (18)Enthalpy of Vaporization: 40.3 kJ/mol; (19)Boiling Point: 184 °C at 760 mmHg; (20)Vapour Pressure: 1.03 mmHg at 25°C ; (21)Refractive index: 1.463.

Preparation of 3,5-Bis(trifluoromethyl)iodobenzen: it can be made by 1,3-bis-trifluoromethyl-benzene with reagents F₂, I₂, 98percent aq. H₂SO₄ and solvent 1,1,2-trichloro-1,2,2-trifluoro-ethane at ambient temperature. The yield is about 83%.

Uses of 3,5-Bis(trifluoromethyl)iodobenzene: this chemical can react with trifluoro-peroxyacetic acid to prepare other chemcial with solvent CH₂Cl₂ at temperature of -78 deg C up to RT. The yield is about 68%.

When you are using this chemical, please be cautious about it as the following:
Wear suitable protective clothing, gloves and eye/face protection during you are using it for this chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cc(cc(I)c1)C(F)(F)F;
(2)InChI: InChI=1/C8H3F6I/c9-7(10,11)4-1-5(8(12,13)14)3-6(15)2-4/h1-3H;
(3)InChIKey: VDPIZIZDKPFXLI-UHFFFAOYAN