CAS Number165806-95-1
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
Molecular FormulaC15H12FNO2S
Molecular Weight289.32500
Density1.46g/cm3
Boiling Point164.5ºC at 760mmHg
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 165806-95-1 |
| Catalog No. | 2A-9082669 |
| Chinese Name | Α-(对甲苯磺酰基)-4-氟苄基异腈 |
| 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 |
| Molecular Formula | C15H12FNO2S |
| Molecular Weight | 289.32500 |
| Density | 1.46g/cm3 |
| Boiling Point | 164.5ºC at 760mmHg |
| Storage Condition | 2-8°C, store in inert gas |
| HTC | 2926909090 |
| SMILES | Cc1ccc(cc1)[S](=O)(=O)C([N+]#[C-])c2ccc(F)cc2 |
| InChI | InChI=1S/C15H12FNO2S/c1-11-3-9-14(10-4-11)20(18,19)15(17-2)12-5-7-13(16)8-6-12/h3-10,15H,1H3 |
| InChI Key | InChIKey=UXCQPEDHCCJBNL-UHFFFAOYSA-N |
| MSDS | msds/82669_1_165806_95_1.pdf |
| Use of | 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 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 Section12. Ecological information 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 Safety Information Hazard Codes Xi: Irritant; HS Code 2926909090 Synthetic Route N-[(4-FLUOROPHE... CAS#:165806-94-0 A-TOSYL-(4-FLUO... CAS#:165806-95-1 Literature: SmithKline Beecham Corporation Patent: US5716955 A1, 1998 ; 4-Methylbenzene... CAS#:536-57-2 A-TOSYL-(4-FLUO... CAS#:165806-95-1 Literature: Tetrahedron Letters, , vol. 37, # 45 p. 8113 - 8116 4-Fluorobenzaldehyde CAS#:459-57-4 A-TOSYL-(4-FLUO... CAS#:165806-95-1 Literature: Tetrahedron Letters, , vol. 37, # 45 p. 8113 - 8116 Precursor & DownStream Precursor 3 CAS#:165806-94-0 N-[(4-FLUOROPHE... CAS#:536-57-2 4-Methylbenzene... CAS#:459-57-4 4-Fluorobenzaldehyde DownStream 2 CAS#:148890-53-3 1-fluoro-4-(iso... CAS#:166895-06-3 4-(4-fluorophen... |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 6.5% Ordinary tariff: 30.0% |
| Transport Info | Product name: 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% |
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