3,5-BIS(TRIFLUOROMETHYL)CHLOROBENZENE

The Benzene, 1-chloro-3, 5-bis(trifluoromethyl)-, with the CAS registry number 328-72-3, is also known as 3, 5-Bis(Trifluoromethyl)chlorobenzene. It belongs to the product category of Miscellaneous. This chemical's molecular formula is C₈H₃ClF₆ and molecular weight is 248.55. What's more, its IUPAC name is 1-Chloro-3, 5-bis(trifluoromethyl)benzene.

Physical properties about Benzene, 1-chloro-3, 5-bis(trifluoromethyl)- are: (1)ACD/LogP: 4.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.63; (4)ACD/LogD (pH 7.4): 4.63; (5)ACD/BCF (pH 5.5): 1929.76; (6)ACD/BCF (pH 7.4): 1929.76; (7)ACD/KOC (pH 5.5): 7822.76; (8)ACD/KOC (pH 7.4): 7822.76; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.403; (14)Molar Refractivity: 41.1 cm³; (15)Molar Volume: 168.4 cm³; (16)Polarizability: 16.29×10^-24 cm³; (17)Surface Tension: 20.3 dyne/cm; (18)Density: 1.475 g/cm³; (19)Flash Point: 42.7 °C; (20)Enthalpy of Vaporization: 34.79 kJ/mol; (21)Boiling Point: 125 °C at 760 mmHg; (22)Vapour Pressure: 15 mmHg at 25 °C.

Preparation of Benzene, 1-chloro-3, 5-bis(trifluoromethyl)-: this chemical is prepared by 1, 3-Bis-trifluoromethyl-benzene. This reaction needs reagents SF₄, HF, Cl₂. The reaction time is 7 hours with reaction temperature of 100 °C. The yield is about 92 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing, gloves and eye/face protection. 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(Cl)c1)C(F)(F)F
(2) InChI: InChI=1/C8H3ClF6/c9-6-2-4(7(10,11)12)1-5(3-6)8(13,14)15/h1-3H
(3) InChIKey: OXMBWPJFVUPOFO-UHFFFAOYAV