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CAS No.: | 60200-06-8 |
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Name: | Clorsulon |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C8H8Cl3N3O4S2 |
Molecular Weight: | 380.66 |
Synonyms: | 1,3-Benzenedisulfonamide,4-amino-6-(trichloroethenyl)- (9CI);4-Amino-6-(trichloroethenyl)-1,3-benzenedisulfonamide;Curatrem;L 631529;MK 401; |
EINECS: | 262-100-2 |
Density: | 1.801 g/cm3 |
Melting Point: | 194-203°C |
Boiling Point: | 651.724 °C at 760 mmHg |
Flash Point: | 347.95 °C |
Appearance: | Crystalline solid |
Safety: | 24/25 |
PSA: | 163.10000 |
LogP: | 5.04950 |
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. |