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Home > Encyclopedia > 3-DIMETHYLSULFAMOYL-BENZOICACID

3-DIMETHYLSULFAMOYL-BENZOICACID

3-DIMETHYLSULFAMOYL-BENZOICACID structure

3-DIMETHYLSULFAMOYL-BENZOICACID 

structure
  • CAS No:

    7326-73-0

  • Formula:

    C9H11NO4S

  • Chemical Name:

    3-DIMETHYLSULFAMOYL-BENZOICACID

  • Synonyms:

    3-(Dimethylsulphamoyl)benzoic acid;3-(N,N-DiMethylsulfaMoyl)benzoic acid;3-(N,N-Dimethylsulphamoyl)benzoic acid;3-[(Dimethylamino)sulphonyl]benzoic acid;Benzoic acid, 3-[(diMethylaMino)sulfonyl]-;3-[(dimethylamino)sulfonyl]benzenecarboxylic acid;3-[(Dimethylamino)sulphonyl]benzoic acid, 3-Carboxy-N,N-dimethylbenzenesulphonamide

3-DIMETHYLSULFAMOYL-BENZOICACID Basic Attributes

229.25

229.04100

DTXSID20407259

2935009090

Characteristics

83.1

0.5

1.368 g/cm3

174-176ºC

417.1°C at 760 mmHg

1.57

Safety Information

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

H315

|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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

3-DIMETHYLSULFAMOYL-BENZOICACID Use and Manufacturing

A solution of 3-(chlorosulfonyl) benzoic acid (2.60 g, 12 mmol) in DCM (20 ml) was treated with dimethylamine (2.0 M in TΗF, 20 ml, 40 mmol, 3.3 equiv). After 30 min, the reaction was quenched with 10percent HCl and extracted with EtOAc. The organics were washed with NaCl(sat) and then dried with Na2SO4(s). The organics were then removed under reduced pressure to give 1.80 g, 65percent; m/z 229.A solution of 3-(chlorosulfonyl)benzoic acid (2.60 g, 12 mmol) in DCM (20 ml) was treated with dimethylamine (2.0 M in THF, 20 ml, 40 mmol, 3.3 equiv). After 30 min, the reaction was quenched with 10percent HC1 and extracted with EtOAc. The organics were washed with NaCl(Method 25; 3-[(Dimethylamino)sulfonyr|benzoic acid; A solution of 3-(chlorosulfonyl) benzoic acid (2.60 g, 12 mmol) in DCM (20 ml) was treated with dimethylamine (2.0 M in THF, 20 ml, 40 mmol, 3.3 equiv). After 30 min, the reaction was quenched with 10percent HCl and extracted with EtOAc. The organics were washed with νaCl(sat) and dried with NaMethod 128; 5 3 - \( Dimethylamino)sulfonyll benzoic acid; A solution of 3-(chlorosulfonyl) benzoic acid (2.60 g, 12 mmol) in DCM (20 ml) was treated with dimethylamine (2.0 M in THF, 20 ml, 40 mmol, 3.3 equiv). After 30 min, the reaction was quenched with 10percent HCl and extracted with EtOAc. The organics were washed with NaCl (sat) and then dried with Na

Computed Properties

Molecular Weight:229.26
XLogP3:0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:229.04087901
Monoisotopic Mass:229.04087901
Topological Polar Surface Area:83.1
Heavy Atom Count:15
Complexity:331
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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