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3337-71-1

3337-71-1 structural image
Product Name: Asulam
Formula: C8H10N2O4S
Synonyms: Methyl N-(4-aminophenylsulfonyl)carbamate
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description White solid; [Merck Index]
Color/Form White crystals
Melting Point 144.2 °C
Solubility In water, 5.0X10+3 mg/L at 22 °C
Vapor Pressure 0.00000144 [mmHg]
LogP log Kow = -0.27
Decomposition When heated to decomposition it emits very toxic fumes of /nitrogen oxides and sulfur oxides/.
Dissociation Constants pKa = 4.82
Other Experimental Properties VP: <1.3X10=2 mPa. Solubility in water: >600 g/L at 20-25 °C. Hydrolysis half-life = 63 days at pH 5, 325 °C /Asulam sodium/
Chemical Classes Pesticides -> Herbicides, Carbamate

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral

COMPUTED DESCRIPTORS

Molecular Weight 230.24 g/mol
XLogP3 -0.3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 230.03612798 g/mol
Monoisotopic Mass 230.03612798 g/mol
Topological Polar Surface Area 107 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 314
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Asulam is a carbamate ester that is methyl carbamate substituted by a (4-aminophenyl)sulfonyl group at the nitrogen atom. A dihydropteroate synthase inhibitor, it is used (normally as the corresponding sodium salt, asulam-sodium) as a herbicide, mainly for killing bracken. It has a role as an environmental contaminant, a xenobiotic, a herbicide, an agrochemical and an EC 2.5.1.15 (dihydropteroate synthase) inhibitor. It is a sulfonamide, a carbamate ester, a substituted aniline and a primary amino compound. It is a conjugate acid of an asulam(1-).