| Chemical & Physical Properties | |
|---|---|
| CAS Number | 834-66-2 |
| Catalog No. | 2A-0103760 |
| Chinese Name | 1-(4-溴苯基磺酰)哌啶 |
| Synonyms | 1-(4-bromophenyl)sulfonylpiperidine |
| Molecular Formula | C11H14O2N1Br1S1 |
| Molecular Weight | 304.21 |
| Purity | 96+ |
| Density | 1.513 g/cm3 |
| Boiling Point | 396.9ºC at 760mmHg |
| Melting Point | 91-93ºC |
| Storage Condition | Keep Cold |
| EINECS | 0 |
| HTC | 2935009090 |
| UN(IATA) | 0 |
| MDL Number | MFCD00194753 |
| SMILES | O=S(=O)(c1ccc(Br)cc1)N1CCCCC1 |
| InChI | InChI=1S/C11H14BrNO2S/c12-10-4-6-11(7-5-10)16(14,15)13-8-2-1-3-9-13/h4-7H,1-3,8-9H2 |
| InChI Key | AVWJTUSLSQWCFK-UHFFFAOYSA-N |
| MSDS | msds/103760_1_834_66_2.pdf |
| Use of | health and chemical hazard data given on this sheet. 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: Flash point:No data Molecular formula:C11H14BrNO2S Molecular weight:304.2 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 bromide, 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 Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : Piperidine, 1-((p-bromophenyl)sulfonyl)- CAS REGISTRY NUMBER : BEILSTEIN REFERENCE NO. : LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C11-H14-Br-N-O2-S HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD - Lethal dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. (Washington, DC) Volume(issue)/page/year: 5,21,1953 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 8,548,1965 Safety Information Hazard Codes Xi: Irritant; HS Code 2935009090 Synthetic Route Total: 1 Page Piperidine CAS#:110-89-4 p-Bromophenylsu... CAS#:98-58-8 1-(4-bromopheny... CAS#:834-66-2 Literature: Heinrich, Daniel M.; Flanagan, Jack U.; Jamieson, Stephen M.F.; Silva, Shevan; Rigoreau, Laurent J.M.; Trivier, Elisabeth; Raynham, Tony; Turnbull, Andrew P.; Denny, William A. European Journal of Medicinal Chemistry, 2013 , vol. 62, p. 738 - 744 Piperidine CAS#:110-89-4 4-bromo-benzene... CAS#:20846-02-0 1-(4-bromopheny... CAS#:834-66-2 Piperidine hydr... CAS#:6091-44-7 p-Bromophenylsu... CAS#:98-58-8 1-(4-bromopheny... CAS#:834-66-2 Literature: Journal of the American Chemical Society, , vol. 45, p. 2697 Precursor & DownStream Precursor 3 CAS#:110-89-4 Piperidine CAS#:98-58-8 p-Bromophenylsu... CAS#:6091-44-7 Piperidine hydr... DownStream 0 |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 6.5% Ordinary tariff: 35.0% |
| Transport Info | Product name: Summary 2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0% |
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