6-(TRIFLUOROMETHYL)NICOTINOYL CHLORIDE

The 3-Pyridinecarbonylchloride, 6-(trifluoromethyl)-, with the CAS registry number 358780-13-9, has the systematic name of 6-(trifluoromethyl)pyridine-3-carbonyl chloride. It is a kind of moisture sensitive chemical, and belongs to the following product categories: Acidhalide; Heterocycles; C7 and C8; Heterocyclic Building Blocks; Pyridines. The molecular formula of the chemical is C₇H₃ClF₃NO.

The characteristics of 3-Pyridinecarbonylchloride, 6-(trifluoromethyl)- are as followings: (1)ACD/LogP: 1.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.69; (4)ACD/LogD (pH 7.4): 1.69; (5)ACD/BCF (pH 5.5): 11.28; (6)ACD/BCF (pH 7.4): 11.28; (7)ACD/KOC (pH 5.5): 197.12; (8)ACD/KOC (pH 7.4): 197.12; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.96 Å²; (13)Index of Refraction: 1.467; (14)Molar Refractivity: 39.56 cm³; (15)Molar Volume: 142.5 cm³; (16)Polarizability: 15.68×10^-24cm³; (17)Surface Tension: 33.2 dyne/cm; (18)Density: 1.469 g/cm³; (19)Flash Point: 87 °C; (20)Enthalpy of Vaporization: 45.66 kJ/mol; (21)Boiling Point: 220.2 °C at 760 mmHg; (22)Vapour Pressure: 0.115 mmHg at 25°C. 
 
You should be cautious while dealing with this chemical. It is harmful if swallowed, and it may also cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if 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)c1ncc(C(Cl)=O)cc1
(2)InChI: InChI=1/C7H3ClF3NO/c8-6(13)4-1-2-5(12-3-4)7(9,10)11/h1-3H
(3)InChIKey: DDIXMUVENCORLG-UHFFFAOYAC