Cas no 35623-11-1 (3-(Methylamino)sulphonylbenzoic Acid)
3-(Methylamino)sulphonylbenzoic Acid Chemical and Physical Properties
Names and Identifiers
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- 3-(N-Methylsulfamoyl)benzoic acid
- 3-[(Methylamino)sulphonyl]benzoic Acid
- 3-(methylsulfamoyl)benzoic acid
- 3-[(Methylamino)sulfonyl]benzenecarboxylic acid
- 3-[(methylamino)sulfonyl]benzoic acid
- Benzoic acid,3-[(methylamino)sulfonyl]-
- 3-methylsulfamoyl-benzoic acid
- 4-[(methylamino)sulfonyl]-2-biphenylcarboxylic acid
- 3-Methylsulfamoylbenzoic acid
- NSC 74787
- Benzoic acid, 3-[(methylamino)sulfonyl]-
- NSC74787
- PubChem20090
- Oprea1_641871
- 3-(Methylsulphamoyl)benzoic acid
- UTZKLODUDPSLBT-UHFFFAOYSA-N
- HMS1755L18
- SBB095105
- BBL029755
- STK9
- 35623-11-1
- AMY20240
- DTXSID70291307
- 3-AMINO-4-(CYCLOHEXYLAMINO)BENZOICACIDMETHYLESTER
- BB 0237865
- SY003085
- EN300-00533
- A874566
- MFCD02707876
- 3-[(Methylamino)sulphonyl]benzoicAcid
- AKOS000114987
- J-510920
- LB-0716
- SB79194
- FT-0681181
- NSC-74787
- Z53038386
- SCHEMBL35539
- CS-0150988
- STK982293
- XH1203
- 3-(Methylamino)sulphonylbenzoic Acid
-
- MDL: MFCD02707876
- Inchi: 1S/C8H9NO4S/c1-9-14(12,13)7-4-2-3-6(5-7)8(10)11/h2-5,9H,1H3,(H,10,11)
- InChI Key: UTZKLODUDPSLBT-UHFFFAOYSA-N
- SMILES: S(C1C=CC=C(C(=O)O)C=1)(NC)(=O)=O
Computed Properties
- Exact Mass: 215.02500
- Monoisotopic Mass: 215.025
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 306
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.4
- Topological Polar Surface Area: 91.8
Experimental Properties
- Color/Form: No data avaiable
- Density: 1.410±0.06 g/cm3 (20 oC 760 Torr),
- Melting Point: 217-218 oC
- Boiling Point: 428.2 ℃ at 760 mmHg
- Flash Point: 212.7℃
- Solubility: Slightly soluble (9.7 g/l) (25 o C),
- PSA: 91.85000
- LogP: 1.76460
- Vapor Pressure: 0.0±0.7 mmHg at 25°C
3-(Methylamino)sulphonylbenzoic Acid Security Information
- Signal Word:Warning
- Hazard Statement: H315 (100%) H319 (100%) H335 (100%)
-
Warning Statement:
P264Thoroughly clean after treatment
P280Wear protective gloves/Wear protective clothing/Wear protective goggles/Wear a protective mask
P305If it enters the eyes
P351Rinse carefully with water for a few minutes
P338Remove the contact lens(If any)And easy to operate,Continue flushing
P337If eye irritation persists
P313Obtain medical advice/care - Safety Instruction: H315 (100%) H319 (100%) H335 (100%)
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Hazardous Material Identification:
- HazardClass:IRRITANT
- Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
3-(Methylamino)sulphonylbenzoic Acid Customs Data
- HS CODE:2935009090
- Customs Data:
China Customs Code:
2935009090Overview:
2935009090 Other sulphonates(Acyl)amine. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:35.0%
Declaration elements:
Product Name, component content, use to
Summary:
2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0%
3-(Methylamino)sulphonylbenzoic Acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | M183988-5g |
3-(Methylamino)sulphonylbenzoic Acid |
35623-11-1 | 97% | 5g |
¥999.90 | 2023-09-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | M183988-25g |
3-(Methylamino)sulphonylbenzoic Acid |
35623-11-1 | 97% | 25g |
¥2798.90 | 2023-09-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | M183988-1g |
3-(Methylamino)sulphonylbenzoic Acid |
35623-11-1 | 97% | 1g |
¥582.90 | 2023-09-01 | |
| Alichem | A019094909-5g |
3-(N-Methylsulfamoyl)benzoic acid |
35623-11-1 | 97% | 5g |
$207.76 | 2023-09-02 | |
| Alichem | A019094909-10g |
3-(N-Methylsulfamoyl)benzoic acid |
35623-11-1 | 97% | 10g |
$255.42 | 2023-09-02 | |
| Alichem | A019094909-25g |
3-(N-Methylsulfamoyl)benzoic acid |
35623-11-1 | 97% | 25g |
$599.76 | 2023-09-02 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 047937-5g |
3-(Methylamino)sulphonylbenzoic Acid |
35623-11-1 | >95% | 5g |
2014.0CNY | 2021-07-07 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 047937-1g |
3-(Methylamino)sulphonylbenzoic Acid |
35623-11-1 | >95% | 1g |
957.0CNY | 2021-07-07 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-AJ188-50mg |
3-(Methylamino)sulphonylbenzoic Acid |
35623-11-1 | 97% | 50mg |
89.0CNY | 2021-08-05 | |
| TRC | M219198-10mg |
3-[(Methylamino)sulphonyl]benzoic Acid |
35623-11-1 | 10mg |
$ 50.00 | 2022-06-04 |
3-(Methylamino)sulphonylbenzoic Acid Suppliers
3-(Methylamino)sulphonylbenzoic Acid Related Literature
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Masrudin Md Yusoff,Muggundha Raoov,Noorfatimah Yahaya,Noorashikin Md Salleh RSC Adv., 2017,7, 35832-35844
Additional information on 3-(Methylamino)sulphonylbenzoic Acid
3-(Methylamino)sulphonylbenzoic Acid (CAS No. 35623-11-1): A Comprehensive Overview
3-(Methylamino)sulphonylbenzoic Acid, identified by its Chemical Abstracts Service (CAS) number 35623-11-1, is a significant compound in the realm of chemical and pharmaceutical research. This compound, characterized by its methylamino and sulphonyl functional groups attached to a benzoic acid backbone, has garnered considerable attention due to its versatile applications and potential in various biochemical pathways.
The molecular structure of 3-(Methylamino)sulphonylbenzoic Acid encompasses a benzoic acid ring substituted with a sulphonyl group at the 3-position and a methylamino group at the 4-position. This unique arrangement imparts distinct chemical properties, making it a valuable candidate for synthetic chemistry and drug development. The presence of both electron-withdrawing and electron-donating groups enhances its reactivity, enabling diverse functionalization strategies that are pivotal in medicinal chemistry.
In recent years, 3-(Methylamino)sulphonylbenzoic Acid has been extensively studied for its potential role in modulating various biological processes. Research has highlighted its significance in the development of novel therapeutic agents, particularly in the treatment of inflammatory and neurological disorders. The compound's ability to interact with multiple biological targets has opened new avenues for drug discovery, leveraging its dual functionality to achieve synergistic effects.
One of the most compelling aspects of 3-(Methylamino)sulphonylbenzoic Acid is its incorporation into synthetic pathways that yield bioactive molecules. Its sulphonyl group serves as a key intermediate in the synthesis of sulfonamide derivatives, which are well-known for their antimicrobial and anti-inflammatory properties. Additionally, the methylamino moiety allows for further derivatization, enabling the creation of complex molecules with enhanced pharmacological profiles.
The pharmaceutical industry has been particularly interested in exploring the therapeutic potential of 3-(Methylamino)sulphonylbenzoic Acid derivatives. Studies have demonstrated that modifications to this core structure can lead to compounds with improved solubility, bioavailability, and target specificity. For instance, researchers have investigated its role in developing kinase inhibitors, which are crucial in treating cancers and other chronic diseases. The compound's ability to inhibit specific enzymatic pathways makes it a promising scaffold for designing next-generation therapeutics.
Moreover, 3-(Methylamino)sulphonylbenzoic Acid has found applications beyond drug development. In agrochemical research, it serves as a precursor for synthesizing herbicides and pesticides that exhibit high efficacy while minimizing environmental impact. Its structural features allow for the creation of compounds that can selectively target unwanted vegetation without harming beneficial crops or soil microorganisms.
The chemical synthesis of 3-(Methylamino)sulphonylbenzoic Acid involves multi-step reactions that highlight its versatility as a building block. Advanced synthetic methodologies have been employed to optimize yield and purity, ensuring that researchers have access to high-quality material for their studies. Techniques such as palladium-catalyzed cross-coupling reactions and enzymatic modifications have further refined the synthesis process, making it more efficient and scalable.
Recent advancements in computational chemistry have also contributed to the understanding of 3-(Methylamino)sulphonylbenzoic Acid's properties. Molecular modeling studies have provided insights into its interactions with biological targets, aiding in the design of more effective derivatives. These computational approaches complement experimental work by predicting binding affinities and metabolic stability, thereby accelerating the drug discovery pipeline.
The environmental impact of 3-(Methylamino)sulmonybenzoic Acid is another area of interest. Efforts have been made to develop sustainable synthetic routes that minimize waste and reduce energy consumption. Green chemistry principles have been applied to optimize processes, ensuring that production methods align with global sustainability goals. This focus on eco-friendly practices underscores the compound's role not only as a scientific tool but also as an environmentally responsible chemical entity.
In conclusion, 3-(Methylamino)sulmonybenzoic Acid (CAS No. 35623-11-1) is a multifaceted compound with significant implications in pharmaceuticals, agrochemicals, and synthetic chemistry. Its unique structural features enable diverse applications, making it a valuable asset in both academic research and industrial settings. As scientific understanding continues to evolve, this compound is poised to play an even greater role in shaping future advancements across multiple disciplines.
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