4-(4-Methylphenylsulfonamido)benzoic acid structure
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Common Name | 4-(4-Methylphenylsulfonamido)benzoic acid | ||
|---|---|---|---|---|
| CAS Number | 37028-85-6 | Molecular Weight | 291.32200 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C14H13NO4S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4-(4-Methylphenylsulfonamido)benzoic acid |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Molecular Formula | C14H13NO4S |
|---|---|
| Molecular Weight | 291.32200 |
| Exact Mass | 291.05700 |
| PSA | 91.85000 |
| LogP | 3.64780 |
| InChIKey | ZEUVKKKFDVRMIM-UHFFFAOYSA-N |
| SMILES | Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
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Material Safety Data Sheet
Section1. Identification of the substance Product Name: N-(4-Carboxyphenyl)-p-toluenesulfonamide Synonyms:4-[(4-Methylbenzene)sulfonamido]benzoic acid Section2. Hazards identification Harmful by inhalation, in contact with skin, and if swallowed. Section3. Composition/information on ingredients. Ingredient name:N-(4-Carboxyphenyl)-p-toluenesulfonamide CAS number:37028-85-6 Section4. First aid measures Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing contaminated clothing and shoes. If irritation persists, seek medical attention. Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical attention. Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention. Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention. Section5. Fire fighting measures In the event of a fire involving this material, alone or in combination with other materials, use dry powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus should be worn. Section6. Accidental release measures Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national standards. Respiratory precaution:Wear approved mask/respirator Hand precaution:Wear suitable gloves/gauntlets Skin protection:Wear suitable protective clothing Eye protection:Wear suitable eye protection Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container for disposal. See section 12. Environmental precautions: Do not allow material to enter drains or water courses. Section7. Handling and storage Handling:This product should be handled only by, or under the close supervision of, those properly qualified in the handling and use of potentially hazardous chemicals, who should take into account the fire, health and chemical hazard data given on this sheet. Store in closed vessels. Storage: Section8. Exposure Controls / Personal protection Engineering Controls: Use only in a chemical fume hood. Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles. General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse. Section9. Physical and chemical properties Appearance:Not specified Boiling point:No data No data Melting point: Flash point:No data Density:No data Molecular formula:C14H13NO4S Molecular weight:291.3 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, sulfur oxides. Section11. Toxicological information No data. Section12. Ecological information No data. Section13. Disposal consideration Arrange disposal as special waste, by licensed disposal company, in consultation with local waste disposal authority, in accordance with national and regional regulations. Section14. Transportation information Non-harzardous for air and ground transportation. Section15. Regulatory information No chemicals in this material are subject to the reporting requirements of SARA Title III, Section 302, or have known CAS numbers that exceed the threshold reporting levels established by SARA Title III, Section 313. SECTION 16 - ADDITIONAL INFORMATION N/A |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2935009090 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~98%
4-(4-Methylphen... CAS#:37028-85-6 |
| Literature: Mustafa, Ghulam; Khan, Islam Ullah; Ashraf, Muhammad; Afzal, Iftikhar; Shahzad, Sohail Anjum; Shafiq, Muhammad Bioorganic and Medicinal Chemistry, 2012 , vol. 20, # 8 p. 2535 - 2539 |
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~%
4-(4-Methylphen... CAS#:37028-85-6 |
| Literature: Zhang, Jiankang; Shen, Luqing; Wang, Jincheng; Luo, Peihua; Hu, Yongzhou Medicinal Chemistry, 2014 , vol. 10, # 1 p. 38 - 45 |
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~%
4-(4-Methylphen... CAS#:37028-85-6 |
| Literature: Zhang, Jiankang; Shen, Luqing; Wang, Jincheng; Luo, Peihua; Hu, Yongzhou Medicinal Chemistry, 2014 , vol. 10, # 1 p. 38 - 45 |
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~%
4-(4-Methylphen... CAS#:37028-85-6 |
| Literature: Zhang, Jiankang; Shen, Luqing; Wang, Jincheng; Luo, Peihua; Hu, Yongzhou Medicinal Chemistry, 2014 , vol. 10, # 1 p. 38 - 45 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
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| DownStream 5 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2935009090 |
|---|---|
| Summary | 2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: qHTS screening for TAG (triacylglycerol) accumulators in algae
Source: 11812
Target: N/A
External Id: FATTTLab-Algae-Lipid
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Name: Inhibition of lipoxygenase using linoleic acid as substrate at 0.5 mM after 10 mins p...
Source: ChEMBL
Target: N/A
External Id: CHEMBL2013954
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Name: Inhibition of lipoxygenase using linoleic acid as substrate after 10 mins preincubati...
Source: ChEMBL
Target: N/A
External Id: CHEMBL2013955
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Name: Small-molecule inhibitors of ST2 (IL1RL1)
Source: 20881
Target: interleukin-1 receptor-like 1 isoform [homo sapiens]
External Id: ST2_IL33_Inhibitors_Primary_Screening_77700
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Name: Alphascreen assay for small molecules abrogating mHTT-CaM Interaction
Source: 24983
Target: Huntingtin
External Id: KUHTS-Muma KU-CaM-Htt INH-01
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Name: Cell-based high throughput primary assay to identify activators of GPR151
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id: GPR151_PHUNTER_AG_LUMI_1536_1X%ACT
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Name: AlphaScreen-based biochemical high throughput primary assay to identify activators of...
Source: The Scripps Research Institute Molecular Screening Center
Target: N/A
External Id: FBW7_ACT_ALPHA_1536_1X%ACT PRUN
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Name: AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of...
Source: The Scripps Research Institute Molecular Screening Center
External Id: MITF_INH_Alpha_1536_1X%INH PRUN
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 4-[(4-methylphenyl)sulfonylamino]benzoic acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the polar surface area (PSA) of 4-(4-Methylphenylsulfonamido)benzoic acid? |
| A: Polar surface area (PSA) of 4-(4-Methylphenylsulfonamido)benzoic acid is 91.85000. |
| Q: What English synonyms does 4-(4-Methylphenylsulfonamido)benzoic acid have? |
| A: English synonyms of 4-(4-Methylphenylsulfonamido)benzoic acid: 4-[(4-methylphenyl)sulfonylamino]benzoic acid. |
| Q: What is the SMILES notation of 4-(4-Methylphenylsulfonamido)benzoic acid? |
| A: SMILES notation of 4-(4-Methylphenylsulfonamido)benzoic acid is Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1. |
| Q: What is the CAS number of 4-(4-Methylphenylsulfonamido)benzoic acid? |
| A: CAS number of 4-(4-Methylphenylsulfonamido)benzoic acid is 37028-85-6. |
| Q: What is the molecular formula of 4-(4-Methylphenylsulfonamido)benzoic acid? |
| A: Molecular formula of 4-(4-Methylphenylsulfonamido)benzoic acid is C14H13NO4S. |
| Q: What are the downstream products of 4-(4-Methylphenylsulfonamido)benzoic acid? |
| A: Related downstream products(CAS) of 4-(4-Methylphenylsulfonamido)benzoic acid: 121086-18-8;104-15-4;16879-68-8;37028-89-0;70539-63-8. |
| Q: What is the LogP of 4-(4-Methylphenylsulfonamido)benzoic acid? |
| A: LogP of 4-(4-Methylphenylsulfonamido)benzoic acid is 3.64780. |
| Q: What are the upstream materials of 4-(4-Methylphenylsulfonamido)benzoic acid? |
| A: Related upstream materials(CAS) of 4-(4-Methylphenylsulfonamido)benzoic acid: 150-13-0;98-59-9;619-45-4. |
| Q: What is the InChIKey of 4-(4-Methylphenylsulfonamido)benzoic acid? |
| A: InChIKey of 4-(4-Methylphenylsulfonamido)benzoic acid is ZEUVKKKFDVRMIM-UHFFFAOYSA-N. |
| Q: What is the English name of 4-(4-Methylphenylsulfonamido)benzoic acid? |
| A: The English name of 4-(4-Methylphenylsulfonamido)benzoic acid is 4-(4-Methylphenylsulfonamido)benzoic acid. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |