| Chemical & Physical Properties | |
|---|---|
| CAS Number | 139261-90-8 |
| Catalog No. | 2A-9084425 |
| Chinese Name | 3-苯甲酰-1-甲苯磺酰基吡咯 |
| Synonyms | Phenyl(1-tosyl-1H-pyrrol-3-yl)methanone; [1-(4-methylphenyl)sulfonylpyrrol-3-yl]-phenylmethanone |
| Molecular Formula | C18H15NO3S |
| Molecular Weight | 240.73 |
| Density | 1.23 g/cm3 |
| Boiling Point | 517.9ºC at 760 mmHg |
| Melting Point | 94-96ºC |
| Appearance | solid |
| Storage Condition | room temperature |
| HTC | 2933990090 |
| PubChem ID | 329776174 |
| MDL Number | MFCD12026979 |
| SMILES | O=C(C1=CC=CC=C1)N(CCC2)CC2N.[H]Cl |
| InChI | 1S/C12H16N2O.ClH/c13-11-7-4-8-14(9-11)12(15)10-5-2-1-3-6-10;/h1-3,5-6,11H,4,7-9,13H2;1H |
| InChI Key | OOKGNGIDKDJFSC-UHFFFAOYSA-N |
| NACRES Code | NA.21 |
| UNSPSC | 12352116 |
| MSDS | msds/84425_1_139261_90_8.pdf |
| Use of | health and chemical hazard data given on this sheet. Store in closed vessels, refrigerated. 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:C18H15NO3S Molecular weight:325.4 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, 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 HS Code 2933990090 Synthetic Route Total: 1 Page 1-[(4-Methylphe... CAS#:17639-64-4 Benzoyl chloride CAS#:98-88-4 3-Benzoyl-1-tos... CAS#:139261-90-8 Literature: Chen, Qingqi; Wang, Tianyu; Zhang, Yi; Wang, Qiuan; Ma, Jinshi Synthetic Communications, 2002 , vol. 32, # 7 p. 1041 - 1049 |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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