The Systematic name about this chemical is 3-chloro-2,6-difluorobenzoyl chloride. The cas register number of 3-Chloro-2,6-difluorobenzoyl chloride is 261762-43-0. It also can be called as Benzoyl chloride, 3-chloro-2,6-difluoro-. with pyridine (1:1).
Physical properties about 3-Chloro-2,6-difluorobenzoyl chloride are: (1)ACD/LogP: 2.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.36; (4)ACD/LogD (pH 7.4): 2.36; (5)ACD/BCF (pH 5.5): 36.73; (6)ACD/BCF (pH 7.4): 36.73; (7)ACD/KOC (pH 5.5): 459.05; (8)ACD/KOC (pH 7.4): 459.05; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07Å2; (13)Index of Refraction: 1.519; (14)Molar Refractivity: 41.37 cm3; (15)Molar Volume: 136.2 cm3; (16)Surface Tension: 39.3 dyne/cm; (17)Density: 1.548 g/cm3; (18)Flash Point: 77.1 °C; (19)Enthalpy of Vaporization: 44.01 kJ/mol; (20)Boiling Point: 203.9 °C at 760 mmHg; (21)Vapour Pressure: 0.271 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is causes burns. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. People 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: Fc1c(C(Cl)=O)c(F)ccc1Cl
2.InChI: InChI=1/C7H2Cl2F2O/c8-3-1-2-4(10)5(6(3)11)7(9)12/h1-2H
3.InChIKey: LUTDLSSUGZTZBP-UHFFFAOYAW
4.Std. InChI: InChI=1S/C7H2Cl2F2O/c8-3-1-2-4(10)5(6(3)11)7(9)12/h1-2H
|