p-Sulfanilyl fluoride structure
|
Common Name | p-Sulfanilyl fluoride | ||
|---|---|---|---|---|
| CAS Number | 98-62-4 | Molecular Weight | 175.18100 | |
| Density | 1.43 g/cm3 | Boiling Point | 284.2ºC at 760 mmHg | |
| Molecular Formula | C6H6FNO2S | Melting Point | 65.00 - 67.00ºC | |
| MSDS | N/A | Flash Point | 125.7ºC | |
Summary: 4-aminobenzenesulfonyl fluoride (CAS number: 98-62-4), with molecular formula C6H6FNO2S and molecular weight 175.18100. It appears as a white or yellow-white solid, with a melting point of 65.00-67.00°C and a density of 1.43 g/cm3. 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 | 4-aminobenzenesulfonyl 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 | 1.43 g/cm3 |
|---|---|
| Boiling Point | 284.2ºC at 760 mmHg |
| Melting Point | 65.00 - 67.00ºC |
| Molecular Formula | C6H6FNO2S |
| Molecular Weight | 175.18100 |
| Flash Point | 125.7ºC |
| Exact Mass | 175.01000 |
| PSA | 68.54000 |
| LogP | 2.58900 |
| Index of Refraction | 1.555 |
| InChIKey | BPUKPIBWYZWYQV-UHFFFAOYSA-N |
| SMILES | Nc1ccc(S(=O)(=O)F)cc1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
Synonym:Benzenesulfonyl Fluoride, 4-Amino- Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 34 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Causes burns.Corrosive.The toxicological properties of this material have not been fully investigated.Moisture sensitive. Potential Health Effects Eye: Causes eye burns. Skin: Causes skin burns. Ingestion: May cause severe and permanent damage to the digestive tract. Causes gastrointestinal tract burns. The toxicological properties of this substance have not been fully investigated. Inhalation: May cause severe irritation of the respiratory tract with sore throat, coughing, shortness of breath and delayed lung edema. Causes chemical burns to the respiratory tract. The toxicological properties of this substance have not been fully investigated. Chronic: No information found. Section 4 - FIRST AID MEASURES Eyes: Get medical aid. Do NOT allow victim to rub eyes or keep eyes closed. Extensive irrigation with water is required (at least 30 minutes). Skin: Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Destroy contaminated shoes. Ingestion: Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Inhalation: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask. Notes to Physician: Section 5 - FIRE FIGHTING MEASURES General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Contact with metals may evolve flammable hydrogen gas. Extinguishing Media: Use agent most appropriate to extinguish fire. Do NOT get water inside containers. Use water spray, dry chemical, carbon dioxide, or appropriate foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Vacuum or sweep up material and place into a suitable disposal container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions. Provide ventilation. Do not get water inside containers. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Do not allow contact with water. Discard contaminated shoes. Keep from contact with moist air and steam. Storage: Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Corrosives area. Do not store in metal containers. Store protected from moisture. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 98-62-4: United States OSHA: 2.5 mg/m3 TWA (as F) (listed under Fluorides Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Solid Color: white or yellow-white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 65.00 - 67.00 deg C Autoignition Temperature: Not applicable. Flash Point: Not applicable. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C6H6FNO2S Molecular Weight: 175.18 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable at room temperature in closed containers under normal storage and handling conditions. Conditions to Avoid: Incompatible materials, dust generation, moisture, excess heat. Incompatibilities with Other Materials: Moisture, strong bases, strong oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, oxides of nitrogen, oxides of sulfur, irritating and toxic fumes and gases, carbon dioxide, fluoride fumes. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 98-62-4 unlisted. LD50/LC50: Not available. Carcinogenicity: Benzenesulfonyl Fluoride, 4-Amino- - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA Shipping Name: CORROSIVE SOLID, N.O.S.* Hazard Class: 8 UN Number: 1759 Packing Group: II IMO Shipping Name: CORROSIVE SOLID, N.O.S. Hazard Class: 8 UN Number: 1759 Packing Group: II RID/ADR Shipping Name: CORROSIVE SOLID, N.O.S. Hazard Class: 8 UN Number: 1759 Packing group: II Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: C Risk Phrases: R 34 Causes burns. Safety Phrases: S 24/25 Avoid contact with skin and eyes. S 28A After contact with skin, wash immediately with plenty of water. S 37 Wear suitable gloves. S 45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). WGK (Water Danger/Protection) CAS# 98-62-4: No information available. Canada CAS# 98-62-4 is listed on Canada's NDSL List. CAS# 98-62-4 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 98-62-4 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | C: Corrosive; |
|---|---|
| Packaging Group | III |
| Hazard Class | 6.1 |
| HS Code | 2921499090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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p-Sulfanilyl fl... CAS#:98-62-4 |
| Literature: Dansk Tidsskrift for Farmaci, , vol. 18, p. 201,206 US2436697 , ; US2437644 , ; |
|
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p-Sulfanilyl fl... CAS#:98-62-4 |
| Literature: Australian Journal of Chemistry, , vol. 6, p. 318 |
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| Literature: DE879550 , ; |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
|---|---|
| DownStream 10 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2921499090 |
|---|---|
| Summary | 2921499090 other aromatic monoamines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
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|
Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 4-fluorosulfonylaniline |
| AmbscLK-8 |
| EINECS 202-687-4 |
| p-Aminobenzenesulfonyl fluoride |
| 4-aminobenzenesulphonyl fluoride |
| 4-amino-benzenesulfonyl fluoride |
| 4-fluorosulphonylaniline |
| Sulfanilyl fluoride (8CI) |
| Benzenesulfonyl fluoride,4-amino |
| Sulphanilyl fluoride |
| Sulfanilylfluorid |
| Sulfanilyl fluoride |
| p-Sulfanilyl fluoride |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What English synonyms does 4-aminobenzenesulfonyl fluoride have? |
| A: English synonyms of 4-aminobenzenesulfonyl fluoride: 4-fluorosulfonylaniline, AmbscLK-8, EINECS 202-687-4, p-Aminobenzenesulfonyl fluoride, 4-aminobenzenesulphonyl fluoride, 4-amino-benzenesulfonyl fluoride, 4-fluorosulphonylaniline, Sulfanilyl fluoride (8CI), Benzenesulfonyl fluoride,4-amino, Sulphanilyl fluoride, Sulfanilylfluorid, Sulfanilyl fluoride, p-Sulfanilyl fluoride. |
| Q: What is the SMILES notation of 4-aminobenzenesulfonyl fluoride? |
| A: SMILES notation of 4-aminobenzenesulfonyl fluoride is Nc1ccc(S(=O)(=O)F)cc1. |
| Q: What is the boiling point of 4-aminobenzenesulfonyl fluoride? |
| A: Boiling point of 4-aminobenzenesulfonyl fluoride is 284.2ºC at 760 mmHg. |
| Q: What is the molecular weight of 4-aminobenzenesulfonyl fluoride? |
| A: Molecular weight of 4-aminobenzenesulfonyl fluoride is 175.18100. |
| Q: What is the melting point of 4-aminobenzenesulfonyl fluoride? |
| A: Melting point of 4-aminobenzenesulfonyl fluoride is 65.00 - 67.00ºC. |
| Q: What is the LogP of 4-aminobenzenesulfonyl fluoride? |
| A: LogP of 4-aminobenzenesulfonyl fluoride is 2.58900. |
| Q: What are the upstream materials of 4-aminobenzenesulfonyl fluoride? |
| A: Related upstream materials(CAS) of 4-aminobenzenesulfonyl fluoride: 121-60-8;349-96-2;329-20-4. |
| Q: What is the English name of 4-aminobenzenesulfonyl fluoride? |
| A: The English name of 4-aminobenzenesulfonyl fluoride is 4-aminobenzenesulfonyl fluoride. |
| Q: What are the downstream products of 4-aminobenzenesulfonyl fluoride? |
| A: Related downstream products(CAS) of 4-aminobenzenesulfonyl fluoride: 21975-94-0;21316-14-3;21316-12-1;21316-15-4;144-83-2;30880-77-4;30885-87-1;121-57-3;1709-52-0;21316-09-6. |
| Q: What is the molecular formula of 4-aminobenzenesulfonyl fluoride? |
| A: Molecular formula of 4-aminobenzenesulfonyl fluoride is C6H6FNO2S. |
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. |