CAS Number56617-43-7
Synonyms1-(4-Fluoro-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid; 1-(4-Fluorophenyl)-5-oxo-3-pyrrolidinecarboxylic acid; 3-Pyrrolidinecarboxylic acid,1-(4-fluorophenyl)-5-oxo; 4-carboxy-1-(4-fluorophenyl)-2-pyrrolidinone
Molecular FormulaC11H10FNO3
Molecular Weight223.20000
Purity96+%
Density1.422g/cm3
Boiling Point514.4ºC at 760mmHg
Appearancesolid
EINECS0
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 56617-43-7 |
| Catalog No. | 2A-0105729 |
| Chinese Name | 1-(4-氟苯基)-5-氧代吡咯烷-3-羧酸 |
| Synonyms | 1-(4-Fluoro-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid; 1-(4-Fluorophenyl)-5-oxo-3-pyrrolidinecarboxylic acid; 3-Pyrrolidinecarboxylic acid,1-(4-fluorophenyl)-5-oxo; 4-carboxy-1-(4-fluorophenyl)-2-pyrrolidinone |
| Molecular Formula | C11H10FNO3 |
| Molecular Weight | 223.20000 |
| Purity | 96+ |
| Density | 1.422g/cm3 |
| Boiling Point | 514.4ºC at 760mmHg |
| Appearance | solid |
| EINECS | 0 |
| HTC | 2933790090 |
| UN(IATA) | 0 |
| MDL Number | MFCD09808335 |
| SMILES | FC1=CC(N2CCC(C(O)=O)C2=O)=CC=C1 |
| InChI | 1S/C11H10FNO3/c12-7-2-1-3-8(6-7)13-5-4-9(10(13)14)11(15)16/h1-3,6,9H,4-5H2,(H,15,16) |
| InChI Key | XQEDUGVQBLEGBL-UHFFFAOYSA-N |
| NACRES Code | NA.21 |
| UNSPSC | 12352101 |
| MSDS | msds/105729_1_56617_43_7.pdf |
| 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 formula:C11H10FNO3 Molecular weight:223.2 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 fluoride. 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 Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : 3-Pyrrolidinecarboxylic acid, 1-(4-fluorophenyl)-5-oxo- CAS REGISTRY NUMBER : 56617-43-7 LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C11-H10-F-N-O3 MOLECULAR WEIGHT : HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : PJPPAA Polish Journal of Pharmacology and Pharmacy. (ARS Polona, POB 1001, 00-068 Warsaw 1, Poland) V.25- 1973- Volume(issue)/page/year: 26,75,1974 Safety Information Hazard Codes Xi HS Code 2933790090 Synthetic Route Total: 1 Page Itaconic acid CAS#:97-65-4 4-Fluoroaniline CAS#:371-40-4 1-(4-FLUOROPHEN... CAS#:56617-43-7 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 |
| 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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