The Bis(2,5-dichloroanilinium) sulphate, with the CAS registry number 71463-48-4 and EINECS registry number 275-486-2, has the systematic name and IUPAC name of (2,5-dichlorophenyl)ammonium sulfate. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C12H12Cl4N2O4S.
The characteristics of Bis(2,5-dichloroanilinium) sulphate are as followings: (1)ACD/LogP: 4.40; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 6; (4)#H bond donors: 6; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 143.92 Å2; (7)Flash Point: 329.9 °C; (8)Enthalpy of Vaporization: 96.87 kJ/mol; (9)Boiling Point: 621.9 °C at 760 mmHg; (10)Vapour Pressure: 2.49E-16 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1ccc(Cl)c([NH3+])c1.[O-]S([O-])(=O)=O.Clc1ccc(Cl)c([NH3+])c1
(2)InChI: InChI=1/2C6H5Cl2N.H2O4S/c2*7-4-1-2-5(8)6(9)3-4;1-5(2,3)4/h2*1-3H,9H2;(H2,1,2,3,4)
(3)InChIKey: PKWMIEJJYIDBRE-UHFFFAOYAB
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