| Chemical & Physical Properties | |
|---|---|
| CAS Number | 458532-98-4 |
| Catalog No. | 2A-9057277 |
| Chinese Name | 3-(2-二甲胺乙基)-5-(1-吡咯烷基磺酰甲基)-1H-吲哚 |
| Synonyms | MFCD03453058; (3-chloropyridin-4-yl)boronic acid |
| Molecular Formula | C5H5BClNO2 |
| Molecular Weight | 436.84 |
| Purity | ≥98 (HPLC) |
| Density | 1.41g/cm3 |
| Boiling Point | 329.6ºC at 760 mmHg |
| Melting Point | 95-97ºC |
| Appearance | powder |
| HTC | 2933399090 |
| MDL Number | MFCD00903720 |
| SMILES | F[C@@H]1[C@@H](C1)N2c3c(cc(c(c3Cl)N4C[C@H](C5(C4)CC5)N)F)C(=O)C(=C2)C(=O)O.O |
| InChI | 1S/C19H18ClF2N3O3.H2O/c20-14-15-8(17(26)9(18(27)28)5-25(15)12-4-10(12)21)3-11(22)16(14)24-6-13(23)19(7-24)1-2-19;/h3,5,10,12-13H,1-2,4,6-7,23H2,(H,27,28);1H2/t10-,12+,13+;/m0./s1 |
| InChI Key | ANCJYRJLOUSQBW-JJZGMWGRSA-N |
| NACRES Code | NA.77 |
| UNSPSC | 12352200 |
| MSDS | msds/57277_1_458532_98_4.pdf |
| Use of | health and chemical hazard data given on this sheet. Store in closed vessels, under −20◦C. 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: Melting point:No data Flash point:No data Molecular formula: C5H5BClNO2 Molecular weight: 157.4 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen chloride. 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: Irritant; Safety Phrases 26-39 HS Code 2933399090 Synthetic Route Total: 1 Page 3-Chloropyridine CAS#:626-60-8 3-Chloropyridin... CAS#:458532-98-4 Literature: Bouillon, Alexandre; Lancelot, Jean-Charles; Collot, Valerie; Bovy, Philippe R; Rault, Sylvain Tetrahedron, 2002 , vol. 58, # 22 p. 4369 - 4373 Precursor & DownStream Precursor 1 CAS#:626-60-8 3-Chloropyridine 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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