3-Pyridinecarboxamide,2-chloro-N-(4'-chloro[1,1'-biphenyl]-2-yl)- (188425-85-6)

The CAS register number of Boscalid is 188425-85-6. It also can be called as 23-Pyridinecarboxamide, 2-chloro-N-(4'-chloro(1,1'-biphenyl)-2-yl)- and the systematic name about this chemical is 2-chloro-N-[2-(4-chlorophenyl)phenyl]pyridine-3-carboxamide.

Physical properties about Boscalid are: (1)ACD/LogP: 4.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.298; (4)ACD/LogD (pH 7.4): 4.298; (5)ACD/BCF (pH 5.5): 1088.03; (6)ACD/BCF (pH 7.4): 1087.29; (7)ACD/KOC (pH 5.5): 5190.7; (8)ACD/KOC (pH 7.4): 5187.17; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 41.99Ų; (13)Index of Refraction: 1.667; (14)Molar Refractivity: 93.302 cm³; (15)Molar Volume: 250.714 cm³; (16)Surface Tension: 56.096 dyne/cm; (17)Density: 1.369 g/cm³; (18)Flash Point: 224.578 °C; (19)Enthalpy of Vaporization: 70.612 kJ/mol; (20)Boiling Point: 447.728 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is a highly flammable and irritating to skin. Danger of serious damage to health by prolonged exposure and harmful by inhalation. It is possible risk of harm to the unborn child. Harmful: may cause lung damage if swallowed. Vapours may cause drowsiness and dizziness. People must wear suitable protective clothing and gloves. If swallowed, do not induce vomitting; seek medical advice immediately and show this container or label.

People can use the following data to convert to the molecule structure.
1.SMILES: c1ccc(c(c1)c2ccc(cc2)Cl)NC(=O)c3cccnc3Cl
2.InChI: InChI=1/C18H12Cl2N2O/c19-13-9-7-12(8-10-13)14-4-1-2-6-16(14)22-18(23)15-5-3-11-21-17(15)20/h1-11H,(H,22,23) 
3.InChIKey: WYEMLYFITZORAB-UHFFFAOYAF
4.Std. InChI: InChI=1S/C18H12Cl2N2O/c19-13-9-7-12(8-10-13)14-4-1-2-6-16(14)22-18(23)15-5-3-11-21-17(15)20/h1-11H,(H,22,23)