| Chemical & Physical Properties | |
|---|---|
| CAS Number | 831203-34-0 |
| Catalog No. | 2A-0164806 |
| Chinese Name | 2-(5-溴吡啶-2-基)-2-氰基乙酸叔丁酯 |
| Synonyms | tert-butyl 2-(5-bromopyridin-2-yl)-2-cyanoacetate |
| Molecular Formula | C12H13BrN2O2 |
| Molecular Weight | 315.80 |
| Purity | 98 |
| Density | 1.4±0.1 g/cm3 |
| Boiling Point | 375.0±37.0 °C at 760 mmHg |
| Melting Point | 144-147 °C (lit.) |
| Storage Condition | room temperature, dry |
| EINECS | 223-445-4 |
| HTC | 2933399090 |
| UN(IATA) | 0 |
| PubChem ID | 24866434 |
| MDL Number | MFCD00059707 |
| SMILES | Cc1cc(c(O)c(c1)C(C)(C)C)-n2nc3ccc(Cl)cc3n2 |
| InChI | 1S/C17H18ClN3O/c1-10-7-12(17(2,3)4)16(22)15(8-10)21-19-13-6-5-11(18)9-14(13)20-21/h5-9,22H,1-4H3 |
| InChI Key | OCWYEMOEOGEQAN-UHFFFAOYSA-N |
| NACRES Code | NA.23 |
| UNSPSC | 12162002 |
| MSDS | msds/164806_1_831203_34_0.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:C12H13BrN2O2 Molecular weight:297.2 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. 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 2933399090 Synthetic Route Total: 1 Page 2,5-Dibromopyridine CAS#:624-28-2 tert-Butyl 2-cy... CAS#:1116-98-9 tert-Butyl 2-(5... CAS#:831203-34-0 Literature: Komine, Takashi; Kojima, Akihiko; Asahina, Yoshikazu; Saito, Tatsuhiro; Takano, Hisashi; Shibue, Taku; Fukuda, Yasumichi Journal of Medicinal Chemistry, 2008 , vol. 51, # 20 p. 6558 - 6562 Precursor & DownStream Precursor 2 CAS#:624-28-2 2,5-Dibromopyridine CAS#:1116-98-9 tert-Butyl 2-cy... DownStream 0 |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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