Benzoic acid, 2-[(aminosulfonyl)methyl]-, methyl ester
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![Benzoic acid, 2-[(aminosulfonyl)methyl]-, methyl ester structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/6109744539014ad19c03a04c76cbef27.png "Benzoic acid, 2-[(aminosulfonyl)methyl]-, methyl ester")
Benzoic acid, 2-[(aminosulfonyl)methyl]-, methyl ester
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CAS No:
112941-26-1
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Formula:
C9H11NO4S
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Chemical Name:
Benzoic acid, 2-[(aminosulfonyl)methyl]-, methyl ester
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Synonyms:
Benzoic acid,2-[(aminosulfonyl)methyl]-,methyl ester;Methyl 2-[(aminosulfonyl)methyl]benzoate;2-(Methoxycarbonyl)benzylsulfonamide;[2-(Methoxycarbonyl)phenyl]methanesulfonamide;Methyl 2-(sulfamoylmethyl)benzoate
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CAS No:
Benzoic acid, 2-[(aminosulfonyl)methyl]-, methyl ester Basic Attributes
229.25
229.25
419-010-5
2935009090
Characteristics
94.8
0.47
1.361±0.06 g/cm3(Predicted)
100 °C
429.8±55.0 °C(Predicted)
213.7±31.5 °C
1.566
Safety Information
Xi
P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, P501
H302
|Warning|H302: Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Benzoic acid, 2-[(aminosulfonyl)methyl]-, methyl ester Use and Manufacturing
The preparation method is to add benzene and toluene to the reaction kettle, stir, add o-methoxycarbonylbenzylsulfonyl chloride, and cool to below 10℃, ventilate ammonia, maintain the reaction below 30℃, vent ammonia for about 3h , Sampling and analysis, after the ammonia gas is passed, the material is discharged and filtered, and the filter cake is further washed, filtered and dried to obtain the finished product.
O-methoxycarbonylbenzylsulfonamide is an intermediate of the herbicide bensulfuron-methyl.
Benzoic acid, 2-[(aminosulfonyl)methyl]-, methyl ester: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Computed Properties
Molecular Weight:229.26
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:229.04087901
Monoisotopic Mass:229.04087901
Topological Polar Surface Area:94.8
Heavy Atom Count:15
Complexity:320
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Benzoic acid, 2-[(aminosulfonyl)methyl]-, methyl ester
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