CAS Number92847-41-1
SynonymsBB_SC-5652; 1-(m-chlorophenyl)-5-oxo-3-pyrrolidinecarboxylic acid; 1-(3-chloro-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid; 1-(3-Chlor-phenyl)-5-oxo-pyrrolidin-3-carbonsaeure; HMS1689K08
Molecular FormulaC28H22O3N6Cl1F3
Molecular Weight582.97
Density1.455g/cm3
Boiling Point540.9ºC at 760 mmHg
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 92847-41-1 |
| Catalog No. | 2A-3184902 |
| Chinese Name | 1-(3-氯苯基)-5-氧代吡咯烷-3-羧酸 |
| Synonyms | BB_SC-5652; 1-(m-chlorophenyl)-5-oxo-3-pyrrolidinecarboxylic acid; 1-(3-chloro-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid; 1-(3-Chlor-phenyl)-5-oxo-pyrrolidin-3-carbonsaeure; HMS1689K08 |
| Molecular Formula | C28H22O3N6Cl1F3 |
| Molecular Weight | 582.97 |
| Density | 1.455g/cm3 |
| Boiling Point | 540.9ºC at 760 mmHg |
| HTC | 2933790090 |
| PubChem ID | 3261984 |
| MDL Number | MFCD29036964 |
| SMILES | O=C(O)C1CC(=O)N(c2cccc(Cl)c2)C1 |
| InChI | InChI=1S/C11H10ClNO3/c12-8-2-1-3-9(5-8)13-6-7(11(15)16)4-10(13)14/h1-3,5,7H,4,6H2,(H,15,16) |
| InChI Key | PBIAEAYJEYOSMG-UHFFFAOYSA-N |
| Use of | health and chemical hazard data given on this sheet. Store in closed vessels. 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 weight:239.7 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 HS Code 2933790090 Synthetic Route Total: 1 Page Itaconic acid CAS#:97-65-4 3-Chloroaniline CAS#:108-42-9 1-(3-CHLORO-PHE... CAS#:92847-41-1 Literature: Watanabe, S.; Ogawa, K.; Ohno, T.; Yano, S.; Yamada, H.; Shirasaka, T. European Journal of Medicinal Chemistry, 1994 , vol. 29, # 9 p. 675 - 686 Precursor & DownStream Precursor 2 CAS#:97-65-4 Itaconic acid CAS#:108-42-9 3-Chloroaniline DownStream 0 |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 9.0% Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2933790090. other lactams. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:9.0%. General tariff:20.0% |
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