Benzoic acid,2-(aminosulfonyl)- supplier

Name
2-CARBOXY PHENYLSULFAMIDE
EINECS 211-174-4
CAS No. 632-24-6
Article Data11
CAS DataBase
Density 1.536 g/cm³
Solubility
Melting Point 154-156 °C
Formula C₇H₇NO₄S
Boiling Point 454.8 °C at 760 mmHg
Molecular Weight 201.203
Flash Point 228.8 °C
Transport Information
Appearance
Safety 26
Risk Codes 36
Molecular Structure
Hazard Symbols Xi
Synonyms o-Sulfonamidobenzoic acid;o-Sulfamoylbenzoic acid;o-Sulfamidobenzoic acid;NSC 22975;2-Sulfamoylbenzoicacid;2-Carboxybenzenesulfonamide;Benzoicacid, o-sulfamoyl- (6CI,8CI);
PSA 105.84000
LogP 1.81330

Synthetic route

: 133742-01-5
N-(fluoromethyl)saccharin

: 632-24-6
2-sulfamoyl-benzoic acid

Conditions

Conditions	Yield
With sodium hydroxide In tetrahydrofuran	59%

: 88-19-7
methyl 2-(aminosulfonyl)benzoate

: 632-24-6
2-sulfamoyl-benzoic acid

Conditions

Conditions	Yield
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

: 81-07-2
saccharin

: 632-24-6
2-sulfamoyl-benzoic acid

Conditions

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;

: 27148-03-4
thiosaccharine

KOH-solution: KOH-solution

: 632-24-6
2-sulfamoyl-benzoic acid

Conditions

Conditions	Yield

: furan-2,3,5(4H)-trione pyridine (1:1)

: 81-07-2
saccharin

KOH-solution: KOH-solution

: 632-24-6
2-sulfamoyl-benzoic acid

Conditions

Conditions	Yield
beim Eindampfen;

...Expand

: 13947-20-1
N-(hydroxymethyl)saccharin

: 632-24-6
2-sulfamoyl-benzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 5 g / DAST / tetrahydrofuran / Ambient temperature 2: 59 percent / 5percent aq. NaOH / tetrahydrofuran View Scheme

: 137-64-4
2-chloro-5-(chlorosulfonyl)benzoic acid

: 632-24-6
2-sulfamoyl-benzoic acid

Conditions

Conditions	Yield

: 632-24-6
2-sulfamoyl-benzoic acid

: 2-sulfamoylbenzoyl chloride

Conditions

Conditions	Yield
With thionyl chloride at 0 - 80℃; for 2h;	100%

: 67-56-1
methanol

: 632-24-6
2-sulfamoyl-benzoic acid

: 57683-71-3
methyl 2-(aminosulfonyl)benzoate

Conditions

Conditions	Yield
With sulfuric acid
With hydrogenchloride

: 64-17-5
ethanol

: 632-24-6
2-sulfamoyl-benzoic acid

: 59777-72-9
ethyl 2-(aminosulfonyl)benzoate

Conditions

Conditions	Yield
With sulfuric acid
With hydrogenchloride

: 632-24-6
2-sulfamoyl-benzoic acid

: 1147550-11-5
ammonium thiocyanate

: 41363-39-7
2-carboxamidebenzenesulfonic acid

Conditions

Conditions	Yield
at 90 - 100℃; 3 Tage lang, den zweiten auf 130-135grad, den dritten auf 150-160grad;

: 632-24-6
2-sulfamoyl-benzoic acid

: 81-07-2
saccharin

Conditions

Conditions	Yield

at 114 - 116℃;

: 632-24-6
2-sulfamoyl-benzoic acid

: 75-03-6
ethyl iodide

: 59777-72-9
ethyl 2-(aminosulfonyl)benzoate

Conditions

Conditions	Yield
With sodium ethanolate

: 632-24-6
2-sulfamoyl-benzoic acid

: C7H6N2O6S

Conditions

Conditions	Yield
With nitronium tetrafluoborate In acetonitrile at 20 - 25℃;

: 7664-93-9
sulfuric acid

: 632-24-6
2-sulfamoyl-benzoic acid

: 7446-11-9
sulfur trioxide

: 81-07-2
saccharin

Conditions

Conditions	Yield

...Expand

: 632-24-6
2-sulfamoyl-benzoic acid

: 10025-87-3, 12599-09-6, 63736-95-8
trichlorophosphate

: 81-07-2
saccharin

Conditions

Conditions	Yield

: 632-24-6
2-sulfamoyl-benzoic acid

aqueous alkaline solution: aqueous alkaline solution

: 81-07-2
saccharin

Conditions

Conditions	Yield

: 7647-01-0
hydrogenchloride

: 632-24-6
2-sulfamoyl-benzoic acid

acid ammonium salt of/the/ 2-sulfo-benzoic acid: acid ammonium salt of/the/ 2-sulfo-benzoic acid

Conditions

Conditions	Yield
at 20℃;

: 632-24-6
2-sulfamoyl-benzoic acid

: 7732-18-5
water

acid ammonium salt of/the/ 2-sulfo-benzoic acid: acid ammonium salt of/the/ 2-sulfo-benzoic acid

Conditions

Conditions	Yield

: 7601-90-3
perchloric acid

: 632-24-6
2-sulfamoyl-benzoic acid

A: 81-07-2
saccharin

B acid ammonium salt of/the/ 2-sulfo-benzoic acid: acid ammonium salt of/the/ 2-sulfo-benzoic acid

Conditions

Conditions	Yield
at 100℃;

...Expand

: 632-24-6
2-sulfamoyl-benzoic acid

A: 81-07-2
saccharin

B acidic ammonium salt of/the/ o-sulfo-benzoic acid: acidic ammonium salt of/the/ o-sulfo-benzoic acid

Conditions

Conditions	Yield

: 632-24-6
2-sulfamoyl-benzoic acid

: 1147550-11-5
ammonium thiocyanate

ammonium salt of/the/ benzamide-o-sulfonic acid: ammonium salt of/the/ benzamide-o-sulfonic acid

Conditions

Conditions	Yield

: 7647-01-0
hydrogenchloride

: 64-17-5
ethanol

: 632-24-6
2-sulfamoyl-benzoic acid

o-sulfamide-benzoic acid ethyl ester: o-sulfamide-benzoic acid ethyl ester

Conditions

Conditions	Yield
bildet sich zunaechst Saccharin;

...Expand

: 64-17-5
ethanol

: 7664-93-9
sulfuric acid

: 632-24-6
2-sulfamoyl-benzoic acid

o-sulfamide-benzoic acid ethyl ester: o-sulfamide-benzoic acid ethyl ester

Conditions

Conditions	Yield

...Expand

: 632-24-6
2-sulfamoyl-benzoic acid

: 141-52-6
sodium ethanolate

: 75-03-6
ethyl iodide

o-sulfamide-benzoic acid ethyl ester: o-sulfamide-benzoic acid ethyl ester

Conditions

Conditions	Yield

...Expand

: 632-24-6
2-sulfamoyl-benzoic acid

salts of saccharin: salts of saccharin

Conditions

Conditions	Yield
die Salze reagieren;

: 632-24-6
2-sulfamoyl-benzoic acid

: 3-(1-benzo[1,3]dioxol-5-yl-2-imidazol-1-yl-2-oxo-ethyl)-1-methyl-1H-indole-6-carboxylic acid methyl ester

: 3-[1-benzo[1,3]dioxol-5-yl-2-(2-carboxy-benzenesulfonylamino)-2-oxo-ethyl]-1-methyl-1H-indole-6-carboxylic acid methyl ester

Conditions

Conditions	Yield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In dichloromethane for 12h; Heating;

Benzoic acid,2-(aminosulfonyl)- Specification

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

Product Name

2-CARBOXY PHENYLSULFAMIDE

Synthetic route

Benzoic acid,2-(aminosulfonyl)- Specification

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