N-BENZYL 4-BROMOBENZENESULFONAMIDE
N-BENZYL 4-BROMOBENZENESULFONAMIDE structure
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Common Name | N-BENZYL 4-BROMOBENZENESULFONAMIDE | ||
|---|---|---|---|---|
| CAS Number | 3609-87-8 | Molecular Weight | 326.20900 | |
| Density | 1.503g/cm3 | Boiling Point | 447.4ºC at 760mmHg | |
| Molecular Formula | C13H12BrNO2S | Melting Point | 102-104ºC | |
| MSDS | N/A | Flash Point | 224.4ºC | |
Summary: N-benzyl-4-bromobenzenesulfonamide (CAS: 3609-87-8) is an important organic synthetic intermediate with a molecular formula of C13H12BrNO2S and a molecular weight of 326.20900. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | N-benzyl-4-bromobenzenesulfonamide |
|---|---|
| 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.
| Density | 1.503g/cm3 |
|---|---|
| Boiling Point | 447.4ºC at 760mmHg |
| Melting Point | 102-104ºC |
| Molecular Formula | C13H12BrNO2S |
| Molecular Weight | 326.20900 |
| Flash Point | 224.4ºC |
| Exact Mass | 324.97700 |
| PSA | 54.55000 |
| LogP | 4.39930 |
| Index of Refraction | 1.62 |
| InChIKey | KBFYMIDQZWIKJR-UHFFFAOYSA-N |
| SMILES | O=S(=O)(NCc1ccccc1)c1ccc(Br)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 N-Benzyl 4-bromobenzenesulfonamide Product Name: Synonyms: Section2. Hazards identification Harmful by inhalation, in contact with skin, and if swallowed.
H315:Causes skin irritation H319:Causes serious eye irritation H335:May cause respiratory irritation P261:Avoid breathing dust/fume/gas/mist/vapours/spray Wear protective gloves/protective clothing/eye protection/face protection P280: P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do – continue rinsing P304+P340:IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing P405:Store locked up Section3. Composition/information on ingredients. N-Benzyl 4-bromobenzenesulfonamide Ingredient name: CAS number:3609-87-8 Section4. First aid measures Immediately wash skin with copious amounts of water for at least 15 minutes while removing Skin contact: 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. Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention. Ingestion: 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. Storage:Store in closed vessels. 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 Not specified Appearance: Boiling point:No data Melting point:No data Flash point:No data Density:No data Molecular formula:C13H12BrNO2S Molecular weight:326.2 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen bromide, 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.
| Hazard Codes | Xi: Irritant; |
|---|---|
| HS Code | 2935009090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~10%
N-BENZYL 4-BROM... CAS#:3609-87-8 |
| Literature: Nyasse, Barthelemy; Grehn, Leif; Ragnarsson, Ulf; Maia, Hernani L. S.; Monteiro, Luis S.; et al. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1995 , # 16 p. 2025 - 2032 |
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~87%
N-BENZYL 4-BROM... CAS#:3609-87-8 |
| Literature: SYNGENE INTERNATIONAL PRIVATE LIMITED Patent: WO2004/20401 A1, 2004 ; Location in patent: Page 7 ; |
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~93%
N-BENZYL 4-BROM... CAS#:3609-87-8 |
| Literature: Cui, Xinjiang; Shi, Feng; Tse, Man Kin; Goerdes, Dirk; Thurow, Kerstin; Beller, Matthias; Deng, Youquan Advanced Synthesis and Catalysis, 2009 , vol. 351, # 17 p. 2949 - 2958 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
|---|---|
| DownStream 0 | |
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: 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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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| N-Benzyl 4-bromobenzenesulfonamide |
| 4-bromo-benzenesulfonic acid benzylamide |
| N-Benzyl-4-brom-benzolsulfonamid |
| N-Benzyl-p-bromobenzenesulfonamide |
| 4-Brom-benzolsulfonsaeure-benzylamid |
| N-Benzyl-4-bromobenzenesulphonamide |
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 N-benzyl-4-bromobenzenesulfonamide? |
| A: Polar surface area (PSA) of N-benzyl-4-bromobenzenesulfonamide is 54.55000. |
| Q: What is the boiling point of N-benzyl-4-bromobenzenesulfonamide? |
| A: Boiling point of N-benzyl-4-bromobenzenesulfonamide is 447.4ºC at 760mmHg. |
| Q: What is the CAS number of N-benzyl-4-bromobenzenesulfonamide? |
| A: CAS number of N-benzyl-4-bromobenzenesulfonamide is 3609-87-8. |
| Q: What is the molecular weight of N-benzyl-4-bromobenzenesulfonamide? |
| A: Molecular weight of N-benzyl-4-bromobenzenesulfonamide is 326.20900. |
| Q: What is the molecular formula of N-benzyl-4-bromobenzenesulfonamide? |
| A: Molecular formula of N-benzyl-4-bromobenzenesulfonamide is C13H12BrNO2S. |
| Q: What is the SMILES notation of N-benzyl-4-bromobenzenesulfonamide? |
| A: SMILES notation of N-benzyl-4-bromobenzenesulfonamide is O=S(=O)(NCc1ccccc1)c1ccc(Br)cc1. |
| Q: What is the LogP of N-benzyl-4-bromobenzenesulfonamide? |
| A: LogP of N-benzyl-4-bromobenzenesulfonamide is 4.39930. |
| Q: What is the English name of N-benzyl-4-bromobenzenesulfonamide? |
| A: The English name of N-benzyl-4-bromobenzenesulfonamide is N-benzyl-4-bromobenzenesulfonamide. |
| Q: What are the upstream materials of N-benzyl-4-bromobenzenesulfonamide? |
| A: Related upstream materials(CAS) of N-benzyl-4-bromobenzenesulfonamide: 100-46-9;98-58-8;701-34-8;100-51-6. |
| Q: What is the melting point of N-benzyl-4-bromobenzenesulfonamide? |
| A: Melting point of N-benzyl-4-bromobenzenesulfonamide is 102-104ºC. |
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. |