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CAS No.: | 632-24-6 |
---|---|
Name: | 2-CARBOXY PHENYLSULFAMIDE |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C7H7NO4S |
Molecular Weight: | 201.203 |
Synonyms: | o-Sulfonamidobenzoic acid;o-Sulfamoylbenzoic acid;o-Sulfamidobenzoic acid;NSC 22975;2-Sulfamoylbenzoicacid;2-Carboxybenzenesulfonamide;Benzoicacid, o-sulfamoyl- (6CI,8CI); |
EINECS: | 211-174-4 |
Density: | 1.536 g/cm3 |
Melting Point: | 154-156 °C |
Boiling Point: | 454.8 °C at 760 mmHg |
Flash Point: | 228.8 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36 |
Safety: | 26 |
PSA: | 105.84000 |
LogP: | 1.81330 |
N-(fluoromethyl)saccharin
2-sulfamoyl-benzoic acid
Conditions | Yield |
---|---|
With sodium hydroxide In tetrahydrofuran | 59% |
Conditions | Yield |
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With potassium hydroxide; water; potassium hexacyanoferrate(III) | |
With alkaline manganate man reduziert ueberschuessiges Manganat mit Alkohol, macht die alkal.Fluessigkeit durch Saeurezusatz nahezu neutral, filtriert von MnO2 ab, dampft stark ein, saeuert an und extrahiert mit Aether; | |
With alkaline permanganate at 50 - 70℃; Erhitzen unter Druck auf 160grad; | |
Multi-step reaction with 2 steps 1: permanganate; water / in neutral gehaltenem Medium 2: NaOH-solution View Scheme |
Conditions | Yield |
---|---|
With potassium hydroxide | |
With sodium hydroxide | |
With sodium hydroxide; water man dampft ein, bis der suesse Saccharingeschmack verschwunden ist, filtriert nach dem Erkalten, scheidet aus der Loesung durch Salzsaeurezusatz die o-Sulfamid-benzoesaeure aus und krystallisiert sie aus Alkohol um; |
Conditions | Yield |
---|---|
N-(hydroxymethyl)saccharin
2-sulfamoyl-benzoic acid
Conditions | Yield |
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Multi-step reaction with 2 steps 1: 5 g / DAST / tetrahydrofuran / Ambient temperature 2: 59 percent / 5percent aq. NaOH / tetrahydrofuran View Scheme |
Conditions | Yield |
---|---|
2-sulfamoyl-benzoic acid
Conditions | Yield |
---|---|
With thionyl chloride at 0 - 80℃; for 2h; | 100% |
Conditions | Yield |
---|---|
With sulfuric acid | |
With hydrogenchloride |
Conditions | Yield |
---|---|
With sulfuric acid | |
With hydrogenchloride |
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The CAS register number of Benzoic acid,2-(aminosulfonyl)- is 632-24-6. It also can be called as 2-Carboxybenzenesulfonamide and the systematic name about this chemical is 2-sulfamoylbenzoic acid. The molecular formula about this chemical is C7H7NO4S and the molecular weight is 201.2.
Physical properties about Benzoic acid,2-(aminosulfonyl)- are: (1)ACD/LogD (pH 5.5): -2.32; (2)ACD/LogD (pH 7.4): -3.12; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 72.06 Å2; (11)Index of Refraction: 1.611; (12)Molar Refractivity: 45.46 cm3; (13)Molar Volume: 130.9 cm3; (14)Polarizability: 18.02x10-24cm3; (15)Surface Tension: 66.2 dyne/cm; (16)Density: 1.536 g/cm3; (17)Flash Point: 228.8 °C; (18)Enthalpy of Vaporization: 75.28 kJ/mol; (19)Boiling Point: 454.8 °C at 760 mmHg; (20)Vapour Pressure: 4.62E-09 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(N)c1ccccc1C(=O)O
(2)InChI: InChI=1/C7H7NO4S/c8-13(11,12)6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12)
(3)InChIKey: KDNIOKSLVIGAAN-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C7H7NO4S/c8-13(11,12)6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12)
(5)Std. InChIKey: KDNIOKSLVIGAAN-UHFFFAOYSA-N