Amisulbrom CAS 348635-87-0

Introduction：Basic information about Amisulbrom CAS 348635-87-0, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Amisulbrom Basic information

• Product Name: Amisulbrom
• Synonyms: Amisulbrom;3-[(3-Bromo-6-fluoro-2-methyl-1H-indol-1-yl)sulfonyl]-N,N-dimethyl-1H-1,2,4-triazole-1-sulfonamide;Amisulbrom solution;Amisulbrom 1;AmisμLbrom, 100 μg /μL in Acetonitrile;3-(3-Bromo-6-fluoro-2-methylindol-1-ylsulfonyl)-N,N-dimethyl-1H-1,2,4-triazole-1-sulfonamide;Amisulbrom Standard;Amisulbrom@100 μg/mL in Methanol
• CAS: 348635-87-0
• MF: C13H13BrFN5O4S2
• MW: 466.31
• Mol File: 348635-87-0.mol

Amisulbrom Chemical Properties

• Melting point: 128～132℃
• Boiling point: 651.5±65.0 °C(Predicted)
• density: 1.85±0.1 g/cm3(Predicted)
• storage temp.: under inert gas (nitrogen or Argon) at 2-8°C
• solubility: DMSO (Sparingly), Methanol (Slightly, Sonicated)
• pka: -5.12±0.50(Predicted)
• BRN: 11328670
• Major Application: agriculture environmental
• InChI: 1S/C13H13BrFN5O4S2/c1-8-12(14)10-5-4-9(15)6-11(10)20(8)25(21,22)13-16-7-19(17-13)26(23,24)18(2)3/h4-7H,1-3H3
• InChIKey: BREATYVWRHIPIY-UHFFFAOYSA-N
• SMILES: CN(C)S(=O)(=O)n1cnc(n1)S(=O)(=O)n2c(C)c(Br)c3ccc(F)cc23
• LogP: 1.980 (est)
• EPA Substance Registry System: 1H-1,2,4-Triazole-1-sulfonamide, 3-[(3-bromo-6-fluoro-2-methyl-1H-indol-1-yl)sulfonyl]-N,N-dimethyl- (348635-87-0)

Safety Information

• Hazard Codes: N
• Risk Statements: 50
• Safety Statements: 61
• RIDADR: UN 3077 9 / PGIII
• WGK Germany: 3
• Storage Class: 11 - Combustible Solids
• Hazard Classifications: Aquatic Acute 1 Aquatic Chronic 1 Carc. 2 Eye Irrit. 2
• Hazardous Substances Data: 348635-87-0(Hazardous Substances Data)

Amisulbrom Usage And Synthesis

Uses

Amisulbrom is a fungicide used in pesticide formulations in the treatment of blight in vegetation.

Definition

ChEBI: A member of the class of bromoindoles that is 3-bromo-6-fluoro-2-methylindole substituted at position 1 by a 1-(dimethylsulfamyl)-1,2,4-triazole-3-sulfonyl group. A fungicide for use on potatoes to control late blight (Phytophthora infestans) nd downy mildew [Plasmopara viticola). It has a low mammalian toxicity but it is considered to be a reproduction toxicant, is moderately toxic to birds and honey bees but poses a greater risk to aquatic species and earthworms.

General Description

Amisulbrom is classified under the triazole group of fungicides. It contains a sulfone functional group with potent bioactivity.

Synthesis

The commercial production of amisulbrom follows a concise three-step sulfonamide coupling process. First, 3-bromo-6-fluoro-2-methylindole is N-sulfonylated with 1H-1,2,4-triazole-1-sulfonyl chloride. The resulting indolyl sulfonyl triazole is then reacted with chlorosulfonyl isocyanate in dichloromethane, followed by in situ dimethylamine addition to form the sulfonamide linkage. Crude amisulbrom is purified by crystallisation from ethyl acetate/hexane.