(4-fluorobenzenesulfonyl)acetonitrile
(4-fluorobenzenesulfonyl)acetonitrile structure
|
Common Name | (4-fluorobenzenesulfonyl)acetonitrile | ||
|---|---|---|---|---|
| CAS Number | 32083-66-2 | Molecular Weight | 199.20200 | |
| Density | 1.37 g/cm3 | Boiling Point | 390.5ºC at 760 mmHg | |
| Molecular Formula | C8H6FNO2S | Melting Point | 87 °C | |
| MSDS | N/A | Flash Point | 190ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-(4-fluorophenyl)sulfonylacetonitrile |
|---|---|
| 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 | 1.37 g/cm3 |
|---|---|
| Boiling Point | 390.5ºC at 760 mmHg |
| Melting Point | 87 °C |
| Molecular Formula | C8H6FNO2S |
| Molecular Weight | 199.20200 |
| Flash Point | 190ºC |
| Exact Mass | 199.01000 |
| PSA | 66.31000 |
| LogP | 2.20378 |
| Index of Refraction | 1.529 |
| InChIKey | WBXJZTLPEMITJL-UHFFFAOYSA-N |
| SMILES | N#CCS(=O)(=O)c1ccc(F)cc1 |
| Storage condition | Store at room temperature |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 20/21/22 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed. Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. Harmful if absorbed through the skin. Ingestion: Harmful if swallowed. May cause irritation of the digestive tract. Inhalation: Harmful if inhaled. Causes respiratory tract irritation. Chronic: Not available. Section 4 - FIRST AID MEASURES Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Get medical aid. Wash mouth out with 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. 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. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical 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. Section 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Storage: Store in a cool, dry place. Store in a tightly closed container. 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# 32083-66-2: Personal Protective Equipment Eyes: Not available. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Solid Color: white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 87 - 89 deg C Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C8H6FNO2S Molecular Weight: 199 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents, reducing agents. Hazardous Decomposition Products: Hydrogen cyanide, nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 32083-66-2 unlisted. LD50/LC50: Not available. Carcinogenicity: 2-[(4-Fluorophenyl)sulfonyl]acetonitrile - 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: NITRILES, SOLID, TOXIC, N.O.S.* Hazard Class: 6.1 UN Number: 3276 Packing Group: III IMO Shipping Name: NITRILES, TOXIC, N.O.S. Hazard Class: 6.1 UN Number: 3276 Packing Group: III RID/ADR Shipping Name: NITRILES, TOXIC, N.O.S. Hazard Class: 6.1 UN Number: 3276 Packing group: III Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XN Risk Phrases: R 20/21/22 Harmful by inhalation, in contact with skin and if swallowed. R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 Wear suitable protective clothing, gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 32083-66-2: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 32083-66-2 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 32083-66-2 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xn:Harmful; |
|---|---|
| Risk Phrases | R20/21/22;R36/37/38 |
| Safety Phrases | S26-S36/37/39 |
| RIDADR | 3276 |
| Packaging Group | III |
| Hazard Class | 6.1 |
| HS Code | 2926909090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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(4-fluorobenzen... CAS#:32083-66-2 |
| Literature: Journal of Heterocyclic Chemistry, , vol. 8, p. 975 - 982 |
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(4-fluorobenzen... CAS#:32083-66-2 |
| Literature: Journal of Heterocyclic Chemistry, , vol. 8, p. 975 - 982 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
|---|---|
| DownStream 0 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2926909090 |
|---|---|
| Summary | HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| MFCD00179339 |
| (4-FLUOROBENZENESULFONYL)ACETONITRILE |
| 4-Fluorophenylsulphonylacetonitrile |
| 4-Fluorophenylsulfonylacetonitrile |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What English synonyms does 2-(4-fluorophenyl)sulfonylacetonitrile have? |
| A: English synonyms of 2-(4-fluorophenyl)sulfonylacetonitrile: MFCD00179339, (4-FLUOROBENZENESULFONYL)ACETONITRILE, 4-Fluorophenylsulphonylacetonitrile, 4-Fluorophenylsulfonylacetonitrile. |
| Q: What is the polar surface area (PSA) of 2-(4-fluorophenyl)sulfonylacetonitrile? |
| A: Polar surface area (PSA) of 2-(4-fluorophenyl)sulfonylacetonitrile is 66.31000. |
| Q: What is the English name of 2-(4-fluorophenyl)sulfonylacetonitrile? |
| A: The English name of 2-(4-fluorophenyl)sulfonylacetonitrile is 2-(4-fluorophenyl)sulfonylacetonitrile. |
| Q: What is the molecular formula of 2-(4-fluorophenyl)sulfonylacetonitrile? |
| A: Molecular formula of 2-(4-fluorophenyl)sulfonylacetonitrile is C8H6FNO2S. |
| Q: What is the CAS number of 2-(4-fluorophenyl)sulfonylacetonitrile? |
| A: CAS number of 2-(4-fluorophenyl)sulfonylacetonitrile is 32083-66-2. |
| Q: What is the LogP of 2-(4-fluorophenyl)sulfonylacetonitrile? |
| A: LogP of 2-(4-fluorophenyl)sulfonylacetonitrile is 2.20378. |
| Q: What is the safety information for 2-(4-fluorophenyl)sulfonylacetonitrile? |
| A: Safety information for 2-(4-fluorophenyl)sulfonylacetonitrile: S26-S36/37/39. |
| Q: What are the storage conditions for 2-(4-fluorophenyl)sulfonylacetonitrile? |
| A: Storage conditions for 2-(4-fluorophenyl)sulfonylacetonitrile: Store at room temperature. |
| Q: What is the InChIKey of 2-(4-fluorophenyl)sulfonylacetonitrile? |
| A: InChIKey of 2-(4-fluorophenyl)sulfonylacetonitrile is WBXJZTLPEMITJL-UHFFFAOYSA-N. |
| Q: What is the melting point of 2-(4-fluorophenyl)sulfonylacetonitrile? |
| A: Melting point of 2-(4-fluorophenyl)sulfonylacetonitrile is 87 °C. |
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. |