4-Bromo-benzenesulfonyl fluoride
4-Bromo-benzenesulfonyl fluoride structure
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Common Name | 4-Bromo-benzenesulfonyl fluoride | ||
|---|---|---|---|---|
| CAS Number | 498-83-9 | Molecular Weight | 239.06200 | |
| Density | 1.753±0.06 g/cm3 | Boiling Point | 256.0±23.0 °C | |
| Molecular Formula | C6H4BrFO2S | Melting Point | 60-65°C | |
| MSDS | Chinese USA | Flash Point | N/A | |
| Symbol |
GHS05 |
Signal Word | Danger | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4-Bromo-benzenesulfonyl fluoride |
|---|---|
| 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 | 1.753±0.06 g/cm3 |
|---|---|
| Boiling Point | 256.0±23.0 °C |
| Melting Point | 60-65°C |
| Molecular Formula | C6H4BrFO2S |
| Molecular Weight | 239.06200 |
| Exact Mass | 237.91000 |
| PSA | 42.52000 |
| LogP | 3.18810 |
| InChIKey | AOXWZFUBFROIHA-UHFFFAOYSA-N |
| SMILES | O=S(=O)(F)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 Product Name: 4-Bromobenzenesulfonyl fluoride Synonyms: Section2. Hazards identification Harmful by inhalation, in contact with skin, and if swallowed. Section3. Composition/information on ingredients. Ingredient name:4-Bromobenzenesulfonyl fluoride CAS number:498-83-9 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:C6H4BrFO2S Molecular weight:239.1 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, hydrogen fluoride, 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.
| Symbol |
GHS05 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H314 |
| Precautionary Statements | P280-P305 + P351 + P338-P310 |
| Hazard Codes | C |
| Risk Phrases | 34 |
| Safety Phrases | 26-36/37/39-45 |
| RIDADR | UN 3261 8 / PGII |
| WGK Germany | 3 |
| HS Code | 2904909090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~73%
4-Bromo-benzene... CAS#:498-83-9 |
| Literature: PROYECTO DE BIOMEDICINA CIMA, S.L.; ORBE LOPATEGUI, Josune; OYARZABAL SANTAMARINA, Julen; PÁRAMO FERNÁNDEZ, José Antonio; RODRÍGUEZ GARCÍA, José Antonio Patent: WO2014/12964 A1, 2014 ; Location in patent: Page/Page column 49 ; |
|
~37%
4-Bromo-benzene... CAS#:498-83-9
Learn More
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| Literature: Yang, Xianjin; Chen, Guanlong; Chen, Fuli; Zhang, Yan; Yang, Xueyan; Yuan, Xiaoming; Wu, Fanhong Journal of Fluorine Chemistry, 2012 , vol. 133, p. 155 - 159 |
|
~3%
4-Bromo-benzene... CAS#:498-83-9
Detail
Learn More
|
| Literature: Tanaka, Mutsuo; Souma, Yoshie Journal of Organic Chemistry, 1992 , vol. 57, # 13 p. 3738 - 3740 |
|
~%
4-Bromo-benzene... CAS#:498-83-9 |
| Literature: Vigalok, I. V.; Petrova, G. G.; Lukashina, S. G.; Vigalok, A. A.; Levin, Ya. A. Journal of Organic Chemistry USSR (English Translation), 1980 , vol. 16, # 7 p. 1239 - 1243 Zhurnal Organicheskoi Khimii, 1980 , vol. 16, # 7 p. 1442 - 1447 |
|
~%
4-Bromo-benzene... CAS#:498-83-9 |
| Literature: de Oliveira Baptista,M.J.V.; Widdowson,D.A. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1978 , p. 295 - 298 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 5 | |
|---|---|
| DownStream 0 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2904909090 |
|---|---|
| Summary | HS:2904909090 sulphonated, nitrated or nitrosated derivatives of hydrocarbons, whether or not halogenated VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 4-bromobenzenesulfonyl fluoride |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the LogP of 4-Bromo-benzenesulfonyl fluoride? |
| A: LogP of 4-Bromo-benzenesulfonyl fluoride is 3.18810. |
| Q: What is the InChIKey of 4-Bromo-benzenesulfonyl fluoride? |
| A: InChIKey of 4-Bromo-benzenesulfonyl fluoride is AOXWZFUBFROIHA-UHFFFAOYSA-N. |
| Q: What is the English name of 4-Bromo-benzenesulfonyl fluoride? |
| A: The English name of 4-Bromo-benzenesulfonyl fluoride is 4-Bromo-benzenesulfonyl fluoride. |
| Q: What is the SMILES notation of 4-Bromo-benzenesulfonyl fluoride? |
| A: SMILES notation of 4-Bromo-benzenesulfonyl fluoride is O=S(=O)(F)c1ccc(Br)cc1. |
| Q: What are the upstream materials of 4-Bromo-benzenesulfonyl fluoride? |
| A: Related upstream materials(CAS) of 4-Bromo-benzenesulfonyl fluoride: 98-58-8;1156-18-9;108-86-1;34176-08-4;53271-19-5. |
| Q: What is the boiling point of 4-Bromo-benzenesulfonyl fluoride? |
| A: Boiling point of 4-Bromo-benzenesulfonyl fluoride is 256.0±23.0 °C. |
| Q: What is the molecular formula of 4-Bromo-benzenesulfonyl fluoride? |
| A: Molecular formula of 4-Bromo-benzenesulfonyl fluoride is C6H4BrFO2S. |
| Q: What is the melting point of 4-Bromo-benzenesulfonyl fluoride? |
| A: Melting point of 4-Bromo-benzenesulfonyl fluoride is 60-65°C. |
| Q: What is the polar surface area (PSA) of 4-Bromo-benzenesulfonyl fluoride? |
| A: Polar surface area (PSA) of 4-Bromo-benzenesulfonyl fluoride is 42.52000. |
| Q: What is the CAS number of 4-Bromo-benzenesulfonyl fluoride? |
| A: CAS number of 4-Bromo-benzenesulfonyl fluoride is 498-83-9. |
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. |