165806-95-1
165806-95-1 structure
- Name: A-TOSYL-(4-FLUOROBENZYL) ISOCYANIDE
- Chemical Name: 1-[(4-fluorophenyl)-isocyanomethyl]sulfonyl-4-methylbenzene
- CAS Number: 165806-95-1
- Molecular Formula: C15H12FNO2S
- Molecular Weight: 289.32500
- Create Date: 2018-12-28 17:16:30
- Modify Date: 2024-01-06 17:03:18
| Name | 1-[(4-fluorophenyl)-isocyanomethyl]sulfonyl-4-methylbenzene |
|---|---|
| Synonyms |
(4-Fluorophenyl)(isocyano)methyl 4-methylphenyl sulphone
1-fluoro-4-(isocyano(tosyl)methyl)benzene 4-fluorophenyl-tolylsulfonomethylisocyanide 1-fluoro-4-[isocyano[(4-methylphenyl)sulfonyl]methyl]benzene a-Tosyl-(4-fluorobenzyl)isocyanide 4-Fluorophenyl(tosyl)methyl isocyanide alpha-(p-Toluenesulfonyl)-4-fluorobenzylisonitrile -Tosyl-(4-fluorobenzyl) isocyanide A-(P-TOLUENESULFONYL)-4-FLUOROBENZYLISONITRILE 1-[1-Isocyano-1-(toluene-4-sulfonyl)-methyl]-4-fluorobenzene (4-fluorophenyl)(isocyano)methyl 4-methylphenylsulfone |
| Density | 1.46g/cm3 |
|---|---|
| Boiling Point | 164.5ºC at 760mmHg |
| Molecular Formula | C15H12FNO2S |
| Molecular Weight | 289.32500 |
| Flash Point | 73.3ºC |
| Exact Mass | 289.05700 |
| PSA | 42.52000 |
| LogP | 3.83740 |
|
Material Safety Data Sheet
Section1. Identification of the substance Product Name: Alpha-(p-toluenesulfonyl)-4-fluorobenzylisonitrile Synonyms: Section2. Hazards identification Harmful by inhalation, in contact with skin, and if swallowed. H301:Toxic if swallowed
H315:Causes skin irritation H319:Causes serious eye irritation H335:May cause respiratory irritation Avoid breathing dust/fume/gas/mist/vapours/spray P261: P280:Wear protective gloves/protective clothing/eye protection/face protection P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do – continue rinsing P405:Store locked up Section3. Composition/information on ingredients. Ingredient name:Alpha-(p-toluenesulfonyl)-4-fluorobenzylisonitrile CAS number:165806-95-1 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. 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 Appearance:Not specified Boiling point:No data Melting point:No data Flash point:No data Density:No data Molecular formula:C15H12FNO2S Molecular weight:289.3 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen fluoride, 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 |
| Hazard Codes | Xi: Irritant; |
|---|---|
| HS Code | 2926909090 |
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165806-95-1 |
| Literature: SmithKline Beecham Corporation Patent: US5716955 A1, 1998 ; |
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| Literature: Tetrahedron Letters, , vol. 37, # 45 p. 8113 - 8116 |
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| Literature: Tetrahedron Letters, , vol. 37, # 45 p. 8113 - 8116 |
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| Literature: Tetrahedron Letters, , vol. 37, # 45 p. 8113 - 8116 |
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| Literature: WO2013/173218 A1, ; |
| Precursor 3 | |
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| DownStream 2 | |
| HS Code | 2926909090 |
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| 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% |