5-(4-CHLOROPHENYL)-2-(TRIFLUOROMETHYL)FURAN-3-CARBONYL CHLORIDE

The 3-Furancarbonylchloride, 5-(4-chlorophenyl)-2-(trifluoromethyl)-, with the CAS registry number 175276-61-6, has the systematic name of 5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carbonyl chloride. It is a kind of white to light yellow crystal powder, and belongs to the product categories of Furan & Benzofuran. And the molecular formula of the chemical is C₁₂H₅Cl₂F₃O₂.

The characteristics of 3-Furancarbonylchloride, 5-(4-chlorophenyl)-2-(trifluoromethyl)- are as followings: (1)ACD/LogP: 5.46; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.46; (4)ACD/LogD (pH 7.4): 5.46; (5)ACD/BCF (pH 5.5): 8311.49; (6)ACD/BCF (pH 7.4): 8311.49; (7)ACD/KOC (pH 5.5): 22248.29; (8)ACD/KOC (pH 7.4): 22248.29; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 30.21 Å²; (13)Index of Refraction: 1.516; (14)Molar Refractivity: 63.26 cm³; (15)Molar Volume: 209.3 cm³; (16)Polarizability: 25.07×10^-24cm³; (17)Surface Tension: 35.6 dyne/cm; (18)Density: 1.476 g/cm³; (19)Flash Point: 182.4 °C; (20)Enthalpy of Vaporization: 62.59 kJ/mol; (21)Boiling Point: 378 °C at 760 mmHg; (22)Vapour Pressure: 6.46E-06 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: 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)c2oc(c1ccc(Cl)cc1)cc2C(Cl)=O
(2)InChI: InChI=1/C12H5Cl2F3O2/c13-7-3-1-6(2-4-7)9-5-8(11(14)18)10(19-9)12(15,16)17/h1-5H
(3)InChIKey: FOMUAOFXECJYNX-UHFFFAOYAR