ChemicalBook--->CAS DataBase List--->138-41-0

138-41-0

138-41-0 Structure

138-41-0 Structure
IdentificationMore
[Name]

Carzenide
[CAS]

138-41-0
[Synonyms]

4-(AMINOSULFONYL)BENZOIC ACID
4-CARBOXYBENZENESULFONAMIDE
4-CARBOXYBENZENESULPHONAMIDE
4-SULFAMIDOBENZOIC ACID
4-SULFAMOYLBENZOIC ACID
4-SULFAMYLBENZOIC ACID
4-SULFONAMIDOBENZOIC ACID
4-SULPHAMIDOBENZOIC ACID
BENZOIC ACID 4-SULFAMIDE
BENZOIC ACID P-SULFAMIDE
BUTTPARK 148\07-58
CARZENIDE
LABOTEST-BB LT00053349
P-CARBOXYBENZENESULFONAMIDE
P-SULFAMOYLBENZOIC ACID
P-SULFAMYLBENZOIC ACID
P-SULFONAMIDOBENZOIC ACID
RARECHEM AL BO 0772
TIMTEC-BB SBB003533
4-(aminosulfonyl)-benzoicaci
[EINECS(EC#)]

205-327-4
[Molecular Formula]

C7H7NO4S
[MDL Number]

MFCD00007938
[Molecular Weight]

201.2
[MOL File]

138-41-0.mol
Chemical PropertiesBack Directory
[Appearance]

White powder
[Melting point ]

285-295 °C (lit.)
[Boiling point ]

449.0±47.0 °C(Predicted)
[density ]

1.5083 (rough estimate)
[refractive index ]

1.6100 (estimate)
[storage temp. ]

Store at RT.
[solubility ]

0.5g/l
[form ]

Powder
[pka]

3.50(at 25℃)
[color ]

White
[Water Solubility ]

453 mg/L (25 ºC)
[Detection Methods]

HPLC,NMR
[Merck ]

14,1876
[BRN ]

1875393
[InChI]

1S/C7H7NO4S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12)
[InChIKey]

UCAGLBKTLXCODC-UHFFFAOYSA-N
[SMILES]

O=S(C(C=C1)=CC=C1C(O)=O)(N)=O
[CAS DataBase Reference]

138-41-0(CAS DataBase Reference)
[NIST Chemistry Reference]

P-sulfamoylbenzoic acid(138-41-0)
[EPA Substance Registry System]

138-41-0(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[RTECS ]

DH6820000
[TSCA ]

Yes
[HazardClass ]

IRRITANT
[HS Code ]

29163990
[Storage Class]

11 - Combustible Solids
[Toxicity]

LD50 i.p. in rats: 350 ± 22 mg/kg (Appenroth, Brunlich)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Potassium dichromate-->p-Toluenesulfonamide
[Preparation Products]

4-CYANOBENZENESULFONYL CHLORIDE 97-->4-SULFAMIDOBENZOYL CHLORIDE DMF COMPLEX-->4-(CHLOROSULFONYL)BENZOIC ACID-->Glycine, N-[4-(aminosulfonyl)benzoyl]--->Benzoic acid, 4-(aminosulfonyl)-, propyl ester
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Carzenide(138-41-0).msds
Hazard InformationBack Directory
[Description]

4-Sulfamoylbenzoic acid is a significant class of compounds extensively investigated for their potential applications across various disciplines. Characterized by a nitrogen-containing ring structure, 4-Sulfamoylbenzoic acid is a heterocyclic compound adorned with diverse substituents encircling the ring. Within the body, 4-Sulfamoylbenzoic acid is an agonist for several receptors, including those for serotonin and dopamine. By forming connections with these receptors, 4-Sulfamoylbenzoic acid proficiently modulates their functionality, consequently inducing changes in receptor behavior. This, in turn, precipitates an array of effects contingent upon the specific receptor and the studied drug.
[Chemical Properties]

White powder
[Uses]

diuretic, carbonic anhydrase inhibitor
[Application]

Carzenide is an antispasmodic that has been used in the treatment of dysmenorrhoea. Currently Carzenide is an organic synthesis intermediate, used for synthetic drug.
[Definition]

ChEBI: Carzenide is a sulfonamide.
[reaction suitability]

reagent type: cross-linking reagent
[Synthesis]

p-Toluenesulfonamide

70-55-3

Carzenide

138-41-0

Example 11: In a 25 mL reaction vial, 1 mmol of p-carboxybenzenesulfonamide, 0.05 mmol of 3,5-dinitro-N-hydroxy-N-methylbenzamide, and 0.01 mmol of cobalt acetate were added, followed by the addition of 5 mL of acetic acid as solvent. The reaction system was placed in an oxygen atmosphere, maintaining an oxygen pressure of 1 atmosphere, and the temperature was raised to 100 °C. The reaction lasted for 10 hours. After completion of the reaction, the reaction mixture was cooled to room temperature. Recovery of acetic acid was achieved by removing acetic acid from the filtrate by distillation under reduced pressure. The residue was washed repeatedly with water to remove residual acetic acid and cobalt acetate co-catalyst, and then washed with a small amount of acetone to remove 3,5-dinitro-N-hydroxy-N-methylbenzamide and a small amount of p-hydroxymethylbenzenesulfonimide. The resulting filter cake was dried to give p-carboxybenzenesulfonamide. The yield of the reaction was 94.05%, the conversion of p-toluenesulfonamide was 99.33% and the selectivity of p-carboxybenzenesulfonamide was 94.68%. The product was analyzed by Agilent 1200 HPLC and the purity was 95.14%.

[References]

[1] Patent: CN105801455, 2016, A. Location in patent: Paragraph 0048
[2] Patent: US2004/58977, 2004, A1. Location in patent: Page/Page column 8; 14
[3] American Chemical Journal, 1885, vol. 7, p. 147
[4] Justus Liebigs Annalen der Chemie, 1875, vol. 178, p. 284
[5] Journal of the Chemical Society, 1951, p. 1877,1880
Spectrum DetailBack Directory
[Spectrum Detail]

Carzenide(138-41-0)MS
Carzenide(138-41-0)1HNMR
Carzenide(138-41-0)13CNMR
Carzenide(138-41-0)IR1
Carzenide(138-41-0)IR2
Carzenide(138-41-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Carboxybenzenesulfonamide, 97%(138-41-0)
[Alfa Aesar]

4-Sulfamoylbenzoic acid, 97%(138-41-0)
[Sigma Aldrich]

138-41-0(sigmaaldrich)
[TCI AMERICA]

4-Sulfamoylbenzoic Acid,>95.0%(T)(138-41-0)
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