5-Fluoro-2-(trifluoromethyl)benzoyl chloride

The Benzoyl chloride,5-fluoro-2-(trifluoromethyl)-, with the CAS registry number 216144-70-6, has the systematic name of 5-fluoro-2-(trifluoromethyl)benzoyl chloride. It belongs to the following product categories: Acid Halides; Carbonyl Compounds; Organic Building Blocks. And the molecular formula of the chemical is C₈H₃ClF₄O.

The characteristics of Benzoyl chloride,5-fluoro-2-(trifluoromethyl)- are as followings: (1)ACD/LogP: 3.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.55; (4)ACD/LogD (pH 7.4): 3.55; (5)ACD/BCF (pH 5.5): 292.36; (6)ACD/BCF (pH 7.4): 292.36; (7)ACD/KOC (pH 5.5): 2026.34; (8)ACD/KOC (pH 7.4): 2026.34; (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: 1.452; (14)Molar Refractivity: 41.47 cm³; (15)Molar Volume: 153.5 cm³; (16)Polarizability: 16.44×10^-24cm³; (17)Surface Tension: 28.7 dyne/cm; (18)Density: 1.475 g/cm³; (19)Flash Point: 82.8 °C; (20)Enthalpy of Vaporization: 44.96 kJ/mol; (21)Boiling Point: 213.2 °C at 760 mmHg; (22)Vapour Pressure: 0.166 mmHg at 25°C.

You should be cautious while dealing with this chemical. It may cause burns. Therefore, you had better take the following instructions: Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer); Wear suitable protective clothing, gloves and eye/face protection; In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FC(F)(F)c1c(cc(F)cc1)C(Cl)=O
(2)InChI: InChI=1/C8H3ClF4O/c9-7(14)5-3-4(10)1-2-6(5)8(11,12)13/h1-3H
(3)InChIKey: VHTVVTDYYXQDHS-UHFFFAOYAT