CAS Number68867-17-4
SynonymsBenzothiazole-5-carboxylic acid; 1,3-benzothiazole-5-carboxylic acid; 5-Benzothiazolecarboxylic acid
Molecular FormulaC8H5NO2S
Molecular Weight179.2
Purity98.00%
Density1.5±0.1 g/cm3
Boiling Point387.7±15.0 °C at 760 mmHg
AppearanceLight yellow crystal powder
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 68867-17-4 |
| Catalog No. | 2A-9046915 |
| Chinese Name | 苯并噻唑-5-羧酸 |
| Synonyms | Benzothiazole-5-carboxylic acid; 1,3-benzothiazole-5-carboxylic acid; 5-Benzothiazolecarboxylic acid |
| Molecular Formula | C8H5NO2S |
| Molecular Weight | 179.2 |
| Purity | 98.00 |
| Density | 1.5±0.1 g/cm3 |
| Boiling Point | 387.7±15.0 °C at 760 mmHg |
| Appearance | Light yellow crystal powder |
| Storage Condition | room temperature, dry |
| HTC | 2934999090 |
| PubChem ID | 3157926 |
| SMILES | O=C(O)c1ccc2scnc2c1 |
| InChI | InChI=1S/C8H5NO2S/c10-8(11)5-1-2-7-6(3-5)9-4-12-7/h1-4H,(H,10,11) |
| InChI Key | RBIZQDIIVYJNRS-UHFFFAOYSA-N |
| 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:C8H5NO2S Molecular weight:179.2 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, 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 HS Code 2934999090 Synthetic Route Ethyl benzo[d]t... CAS#:103261-70-7 Benzothiazole-5... CAS#:68867-17-4 METHYL BENZO[D]... CAS#:478169-65-2 Benzothiazole-5... CAS#:68867-17-4 Literature: Walker, Daniel P.; Wishka, Donn G.; Piotrowski, David W.; Jia, Shaojuan; Reitz, Steven C.; Yates, Karen M.; Myers, Jason K.; Vetman, Tatiana N.; Margolis, Brandon J.; Jacobsen, E. Jon; Acker, Brad A.; Groppi, Vincent E.; Wolfe, Mark L.; Thornburgh, Bruce A.; Tinholt, Paula M.; Cortes-Burgos, Luz A.; Walters, Rodney R.; Hester, Matthew R.; Seest, Eric P.; Dolak, Lester A.; Han, Fusen; Olson, Barbara A.; Fitzgerald, Laura; Staton, Brian A.; Raub, Thomas J.; Hajos, Mihaly; Hoffmann, William E.; Li, Kai S.; Higdon, Nicole R.; Wall, Theron M.; Hurst, Raymond S.; Wong, Erik H.F.; Rogers, Bruce N. Bioorganic and Medicinal Chemistry, 2006 , vol. 14, # 24 p. 8219 - 8248 Formic Acid CAS#:64-18-6 4-Chloro-3-nitr... CAS#:96-99-1 Benzothiazole-5... CAS#:68867-17-4 Precursor & DownStream Precursor 7 CAS#:103261-70-7 Ethyl benzo[d]t... CAS#:478169-65-2 METHYL BENZO[D]... CAS#:64-18-6 Formic Acid CAS#:96-99-1 4-Chloro-3-nitr... DownStream 1 CAS#:101084-95-1 2-Aminobenzothi... |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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