3,5-DICHLOROSULFANILAMIDE

The CAS registry number of Benzenesulfonamide,4-amino-3,5-dichloro- is 22134-75-4. This chemical is also named as 3,5-Dichlorosulfanilimide. The EINECS registry number of it is 244-799-6. In addition, its molecular formula is C₆H₆Cl₂N₂O₂S and molecular weight is 241.1. Its systematic name and IUPAC name are the same which is called 4-amino-3,5-dichlorobenzenesulfonamide.

Physical properties about this chemical are: (1)ACD/LogP: 1.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.98; (4)ACD/LogD (pH 7.4): 1.97; (5)ACD/BCF (pH 5.5): 18.73; (6)ACD/BCF (pH 7.4): 18.6; (7)ACD/KOC (pH 5.5): 283.41; (8)ACD/KOC (pH 7.4): 281.53; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.645; (13)Molar Refractivity: 52.46 cm³; (14)Molar Volume: 144.5 cm³; (15)Surface Tension: 68 dyne/cm; (16)Density: 1.667 g/cm³; (17)Flash Point: 212.4 °C; (18)Enthalpy of Vaporization: 68.25 kJ/mol; (19)Boiling Point: 427.5 °C at 760 mmHg.

Preparation: this chemical can be prepared by 4-amino-benzenesulfonamide. This reaction will need reagent conc.HCl, perhydrol and solvent H₂O. The yield is about 96 %.

Uses of Benzenesulfonamide,4-amino-3,5-dichloro-: it can be used to produce 2,6-dichloro-aniline at temperature of 180 °C. It will need reagent 70 percent H₂SO₄. The yield is about 92.6 %.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(cc(Cl)c1N)S(=O)(=O)N
(2)InChI: InChI=1/C6H6Cl2N2O2S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,9H2,(H2,10,11,12)
(3)InChIKey: DVZMRTJKNJKEGV-UHFFFAOYAY