Benzoyl chloride,2-fluoro-5-(trifluoromethyl)- (207981-46-2)

The IUPAC name of this chemical is 2-fluoro-5-(trifluoromethyl)benzoyl chloride. With the CAS registry number 207981-46-2, it is also named as Benzoyl chloride, 2-fluoro-5-(trifluoromethyl)-. The product's categories are Aromatic Halides (substituted); Acid Halides; Carbonyl Compounds; Organic Building Blocks. It is clear light yellow liquid which must be kept away from oxide, water, alcohol, amine, alkalis and active metal. Additionally, this chemical should be sealed in the container and stored in the cool, ventilate and dry place.

The other characteristics of 2-Fluoro-5-(trifluoromethyl)benzoyl chloride can be summarized as: (1)ACD/LogP: 3.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.01; (4)ACD/LogD (pH 7.4): 3.01; (5)ACD/BCF (pH 5.5): 113.84; (6)ACD/BCF (pH 7.4): 113.84; (7)ACD/KOC (pH 5.5): 1031.57; (8)ACD/KOC (pH 7.4): 1031.57; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.452; (13)Molar Refractivity: 41.47 cm³; (14)Molar Volume: 153.5 cm³; (15)Polarizability: 16.44×10^-24 cm³; (16)Surface Tension: 28.7 dyne/cm; (17)Enthalpy of Vaporization: 42.74 kJ/mol; (18)Vapour Pressure: 0.521 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Exact Mass: 225.980855; (21)MonoIsotopic Mass: 225.980855; (22)Topological Polar Surface Area: 17.1; (23)Heavy Atom Count: 14; (24)Complexity: 228.

When you are using this chemical, please be cautious about it as the following:
It can cause burns. So people should not breathe vapour. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must 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 whenever possible.) 

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(Cl)c1cc(ccc1F)C(F)(F)F
2. InChI:InChI=1/C8H3ClF4O/c9-7(14)5-3-4(8(11,12)13)1-2-6(5)10/h1-3H 
3. InChIKey:OFVKAIZITGCCDN-UHFFFAOYAN