| Chemical & Physical Properties | |
|---|---|
| CAS Number | 51908-29-3 |
| Catalog No. | 2A-9043622 |
| Chinese Name | 4-异硫氰基苯磺酰胺 |
| Synonyms | 4-Isothiocyanatobenzenesulfonamide |
| Molecular Formula | C7H6N2O2S2 |
| Molecular Weight | 182.20 |
| Purity | 98.00 |
| Density | 1.5±0.1 g/cm3 |
| Boiling Point | 418.2±47.0 °C at 760 mmHg |
| Melting Point | 208-212ºC (dec.) |
| Appearance | solid |
| Storage Condition | -20°C, store in inert gas |
| HTC | 2935009090 |
| PubChem ID | 329789439 |
| MDL Number | MFCD00178767 |
| SMILES | NS(=O)(=O)c1ccc(cc1)C#N |
| InChI | 1S/C7H6N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,(H2,9,10,11) |
| InChI Key | UZECCNDOASGYNH-UHFFFAOYSA-N |
| NACRES Code | NA.21 |
| UNSPSC | 12352200 |
| MSDS | msds/43622_1_51908_29_3.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:C7H6N2O2S2 Molecular weight:214.3 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, 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 RIDADR UN 2811 HS Code 2935009090 Synthetic Route Thiophosgene CAS#:463-71-8 Sulfanilamide CAS#:63-74-1 4-Isothiocyanat... CAS#:51908-29-3 N,N-diethyletha... CAS#:57381-11-0 4-Isothiocyanat... CAS#:51908-29-3 Literature: Sitaram; Celik, Gulsah; Khloya, Poonam; Vullo, Daniela; Supuran, Claudiu T.; Sharma, Pawan K. Bioorganic and Medicinal Chemistry, 2014 , vol. 22, # 6 p. 1873 - 1882 4-Aminobenzenes... CAS#:6101-31-1 N,N'-Thiocarbon... CAS#:6160-65-2 4-Isothiocyanat... CAS#:51908-29-3 Literature: Gauthier, Marie P.; Michaux, Catherine; Rolin, Stephanie; Vastersaegher, Caroline; De Leval, Xavier; Julemont, Fabien; Pochet, Lionel; Masereel, Bernard Bioorganic and Medicinal Chemistry, 2006 , vol. 14, # 4 p. 918 - 927 Precursor & DownStream Precursor 5 CAS#:463-71-8 Thiophosgene CAS#:63-74-1 Sulfanilamide CAS#:57381-11-0 N,N-diethyletha... CAS#:6101-31-1 4-Aminobenzenes... DownStream 2 CAS#:443797-96-4 JNJ-7706621 CAS#:6637-30-5 4-[(4-sulfamoyl... |
| 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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