Methyl 2-(aminosulfonyl)benzoate
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Methyl 2-(aminosulfonyl)benzoate
structure -
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CAS No:
57683-71-3
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Formula:
C8H9NO4S
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Chemical Name:
Methyl 2-(aminosulfonyl)benzoate
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Synonyms:
Benzoic acid,2-(aminosulfonyl)-,methyl ester;Benzoic acid,o-sulfamoyl-,methyl ester;Methyl 2-(aminosulfonyl)benzoate;Methyl 2-sulfamoylbenzoate;2-(Methoxycarbonyl)benzenesulfonamide;2-(Carbomethoxy)benzenesulfonamide;Methyl o-sulfamoylbenzoate;2-Sulfamoyl-benzoic acid methyl ester
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CAS No:
Description
Solid
DryPowder; Liquid
2-aminosulfonyl-benzoic acid methyl ester is a benzoate ester that is methyl benzoate substituted by a sulfamoyl group at position 2. It is a metabolite of the herbicide metsulfuron-methyl. It has a role as a marine xenobiotic metabolite. It is a benzoate ester, a sulfonamide and a methyl ester.
Characteristics
94.8
0.30
DryPowder; Liquid
1.4±0.1 g/cm3
123-125 °C
401.4±47.0 °C at 760 mmHg
196.6±29.3 °C
1.557
Safety Information
IRRITANT
NONH for all modes of transport
3
36/37/38
26-37/39
DH6830000
Xi
Irritant
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Methyl 2-(aminosulfonyl)benzoate Use and Manufacturing
The preparation method is to put saccharin, methanol and a small amount of concentrated sulfuric acid as a catalyst in a three-necked flask, stir, heat to reflux for 6h, evaporate the methanol, add NaHCO3 solution, stir at 50℃ for 30min, the pH of the reaction = 8, cool to room temperature, filter, and The finished product is dried.
Used as medicine and pesticide intermediate
Intermediates
Pesticide, fertilizer, and other agricultural chemical manufacturing|Benzoic acid, 2-(aminosulfonyl)-, methyl ester: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Pesticides -> Herbicides -> Urea herbicides -> Sulfonylurea herbicides -> Triazinylsulfonylurea herbicides -> Transformation products|Environmental transformation -> Pesticide transformation products (metabolite, successor)
Methyl 2-(aminosulfonyl)benzoate is a known environmental transformation product of Metsulfuron-methyl.|Ester sulfonamide (IN-D5803) is a known environmental transformation product of Metsulfuron-methyl and Tribenuron-methyl.
Computed Properties
Molecular Weight:215.23
XLogP3:0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:215.02522894
Monoisotopic Mass:215.02522894
Topological Polar Surface Area:94.8
Heavy Atom Count:14
Complexity:306
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Methyl 2-(aminosulfonyl)benzoate
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