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CAS No.: | 145701-21-9 |
---|---|
Name: | DICLOSULAM |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C13H10Cl2FN5O3S |
Molecular Weight: | 406.225 |
Synonyms: | Diclosulam [ISO];N-(2,6-Dichlorophenyl)-5-ethoxy-7-fluoro-(1,2,4)triazolo(1,5-c)pyrimidine-2-sulfonamide;(1,2,4)Triazolo(1,5-c)pyrimidine-2-sulfonamide, N-(2,6-dichlorophenyl)-5-ethoxy-7-fluoro-;LS-195727;AC1MIWO6; |
Density: | 1.74 g/cm3 |
Melting Point: | 218-221 °C(lit.) |
Hazard Symbols: | T |
Risk Codes: | 25 |
Safety: | 45 |
Transport Information: | UN2811 6.1/PG 3 |
PSA: | 106.86000 |
LogP: | 3.92350 |
The Diclosulam with CAS registry number of 145701-21-9 is also known as (1,2,4)Triazolo(1,5-c)pyrimidine-2-sulfonamide, N-(2,6-dichlorophenyl)-5-ethoxy-7-fluoro-. The IUPAC name is N-(2,6-Dichlorophenyl)-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide. In addition, the formula is C13H10Cl2FN5O3S and the molecular weight is 406.22. What's more, it is toxic if swallowed and even may cause cancer.
Physical properties about Diclosulam are: (1)ACD/LogP: 2.88; (2)ACD/LogD (pH 5.5): 1.68; (3)ACD/LogD (pH 7.4): 0.91; (4)ACD/BCF (pH 5.5): 5.76; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 55.52; (7)ACD/KOC (pH 7.4): 9.45; (8)#H bond acceptors: 8; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.708; (12)Molar Refractivity: 91.01 cm3; (13)Molar Volume: 233.4 cm3; (14)Surface Tension: 62.2 dyne/cm; (15)Density: 1.74 g/cm3.
You can still convert the following datas into molecular structure:
1. SMILES: Clc1cccc(Cl)c1NS(=O)(=O)c2nc3cc(F)nc(OCC)n3n2
2. InChI: InChI=1/C13H10Cl2FN5O3S/c1-2-24-13-17-9(16)6-10-18-12(19-21(10)13)25(22,23)20-11-7(14)4-3-5-8(11)15/h3-6,20H,2H2,1H3
3. InChIKey: QNXAVFXEJCPCJO-UHFFFAOYAT
4. Std. InChI: InChI=1S/C13H10Cl2FN5O3S/c1-2-24-13-17-9(16)6-10-18-12(19-21(10)13)25(22,23)20-11-7(14)4-3-5-8(11)15/h3-6,20H,2H2,1H3
5. Std. InChIKey: QNXAVFXEJCPCJO-UHFFFAOYSA-N