2-FLUORO-6-(TRIFLUOROMETHYL)BENZOYL CHLORIDE

The Benzoyl chloride,2-fluoro-6-(trifluoromethyl)-, with the CAS registry number 109227-12-5, is also known as 2-Trifluoromethyl-6-fluorobenzoyl chloride. It belongs to the product categories of Acid Halides; Carbonyl Compounds; Organic Building Blocks. This chemical's molecular formula is C₈H₃ClF₄O and molecular weight is 226.56. What's more, its systematic name is 2-fluoro-6-(trifluoromethyl)benzoyl chloride. It is stable at common pressure and temperature, and it should be sealed and stored in a cool, ventilated and dry place. What's more, it should be protected from oxides, heat, fire, water and alcohol.

Physical properties of Benzoyl chloride,2-fluoro-6-(trifluoromethyl)- are: (1)ACD/LogP: 2.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.65; (4)ACD/BCF (pH 5.5): 60.99; (5)ACD/KOC (pH 5.5): 659.95; (6)#H bond acceptors: 1; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 17.07 Å²; (10)Index of Refraction: 1.452; (11)Molar Refractivity: 41.47 cm³; (12)Molar Volume: 153.5 cm³; (13)Surface Tension: 28.7 dyne/cm; (14)Density: 1.475 g/cm³; (15)Flash Point: 77.4 °C; (16)Enthalpy of Vaporization: 44.07 kJ/mol; (17)Boiling Point: 204.4 °C at 760 mmHg; (18)Vapour Pressure: 0.263 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It can cause burns. In case of contact with eyes, you must rinse immediately with plenty of water and seek medical advice. You should take off immediately all contaminated clothing. When using it, you need 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)Canonical SMILES: C1=CC(=C(C(=C1)F)C(=O)Cl)C(F)(F)F
(2)InChI: InChI=1S/C8H3ClF4O/c9-7(14)6-4(8(11,12)13)2-1-3-5(6)10/h1-3H
(3)InChIKey: ZDRYDSJMVRRAAF-UHFFFAOYSA-N