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Clorsulon

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Name Clorsulon EINECS 262-100-2
CAS No. 60200-06-8 Density 1.801 g/cm3
Solubility Melting Point 194-203°C
Formula C8H8Cl3N3O4S2 Boiling Point 651.724 °C at 760 mmHg
Molecular Weight 380.65 Flash Point 347.95 °C
Transport Information Appearance Crystalline solid
Safety Risk Codes
Molecular Structure Molecular Structure of 60200-06-8 (1,3-Benzenedisulfonamide,4-amino-6-(1,2,2-trichloroethenyl)-) Hazard Symbols
Synonyms

1,3-Benzenedisulfonamide,4-amino-6-(trichloroethenyl)- (9CI);4-Amino-6-(trichloroethenyl)-1,3-benzenedisulfonamide;Curatrem;L 631529;MK 401;

 

Specification

The Clorsulon, with the CAS registry number 60200-06-8, is also known as 4-Amino-6-(trichlorovinyl)-1,3-benzenedisulfonamide. It belongs to the product categories of Amines; Aromatics; Intermediates & Fine Chemicals; Pharmaceuticals; Sulfur & Selenium Compounds. Its EINECS registry number is 262-100-2. This chemical's molecular formula is C8H8Cl3N3O4S2 and molecular weight is 380.66. What's more, its IUPAC name is called 4-Amino-6-(1,2,2-trichloroethenyl)benzene-1,3-disulfonamide. It should be stored at 0-6 °C. It can be used as a benzenedisulfonamide derivative with fasciolicidal activity and anthelmintic.

Physical properties about Clorsulon are: (1)ACD/LogP: 1.246; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 1.25; (4)ACD/LogD (pH 7.4): 1.24; (5)ACD/BCF (pH 5.5): 5.21; (6)ACD/BCF (pH 7.4): 5.11; (7)ACD/KOC (pH 5.5): 113.49; (8)ACD/KOC (pH 7.4): 111.20; (9)#H bond acceptors: 7; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 163.1 Å2; (13)Index of Refraction: 1.665; (14)Molar Refractivity: 78.458 cm3; (15)Molar Volume: 211.392 cm3; (16)Polarizability: 31.103×10-24cm3; (17)Surface Tension: 75.862 dyne/cm; (18)Density: 1.801 g/cm3; (19)Flash Point: 347.95 °C; (20)Enthalpy of Vaporization: 96.035 kJ/mol; (21)Boiling Point: 651.724 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(c1cc(c(cc1N)C(\Cl)=C(/Cl)Cl)S(=O)(=O)N)N
(2) InChI: InChI=1S/C8H8Cl3N3O4S2/c9-7(8(10)11)3-1-4(12)6(20(14,17)18)2-5(3)19(13,15)16/h1-2H,12H2,(H2,13,15,16)(H2,14,17,18)
(3) InChIKey: QOVTVIYTBRHADL-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 761mg/kg (761mg/kg)   British Veterinary Journal. Vol. 133, Pg. 211, 1977.
mouse LD50 oral > 10gm/kg (10000mg/kg)   British Veterinary Journal. Vol. 133, Pg. 211, 1977.
rat LD oral > 10gm/kg (10000mg/kg)   British Veterinary Journal. Vol. 133, Pg. 211, 1977.

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