CAS Number21557-09-5
Synonyms1-[4-(pyrrolidin-1-yl)phenyl]ethanone; 1-acetyl-4-pyrrolidinylbenzene; 4'-pyrrolidinophenyl methyl ketone; N-(4-acetylphenyl)pyrrolidine; MFCD01075691; 1-(4-acetylphenyl)pyrrolidine
Molecular FormulaC12H15NO
Molecular Weight186.21
Purity96%
Density1.078g/cm3
Boiling Point342.7ºC at 760mmHg
Melting Point108-110 °C (lit.)
Appearancesolid
EINECS233-123-5
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 21557-09-5 |
| Catalog No. | 2A-9038704 |
| Chinese Name | 4'-(1-吡咯烷基)苯乙酮 |
| Synonyms | 1-[4-(pyrrolidin-1-yl)phenyl]ethanone; 1-acetyl-4-pyrrolidinylbenzene; 4'-pyrrolidinophenyl methyl ketone; N-(4-acetylphenyl)pyrrolidine; MFCD01075691; 1-(4-acetylphenyl)pyrrolidine |
| Molecular Formula | C12H15NO |
| Molecular Weight | 186.21 |
| Purity | 96 |
| Density | 1.078g/cm3 |
| Boiling Point | 342.7ºC at 760mmHg |
| Melting Point | 108-110 °C (lit.) |
| Appearance | solid |
| Storage Condition | Keep receptacles sealed Place in a tight container |
| EINECS | 233-123-5 |
| HTC | 2933990090 |
| PubChem ID | 24851074 |
| MDL Number | MFCD00005282 |
| SMILES | CC(=O)c1ccc(cc1)-n2ccnc2 |
| InChI | 1S/C11H10N2O/c1-9(14)10-2-4-11(5-3-10)13-7-6-12-8-13/h2-8H,1H3 |
| InChI Key | GAIQQJIMVVUTQN-UHFFFAOYSA-N |
| NACRES Code | NA.22 |
| UNSPSC | 12352005 |
| MSDS | msds/38704_1_21557_09_5.pdf |
| Use of | health and chemical hazard data given on this sheet. Storage: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 Not specified Appearance: Boiling point:No data Melting point:No data Flash point:No data Molecular formula:C12H15NO Molecular weight:189.3 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen 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 Safety Phrases S26-S36 HS Code 2933990090 Synthetic Route Pyrrolidine 1-(4-Chlorophen... 4-(1-PYRROLIDIN... 21557-09-5 Literature: Prabhu, Rupesh Narayana; Ramesh, Rengan Tetrahedron Letters, 2013 , vol. 54, # 9 p. 1120 - 1124 Pyrrolidine 1-(4-Iodophenyl... 13329-40-3 4-(1-PYRROLIDIN... 21557-09-5 Literature: Nasir Baig; Varma, Rajender S. RSC Advances, 2014 , vol. 4, # 13 p. 6568 - 6572 1,4-Dibromobuta... 4-Aminoacetophe... 4-(1-PYRROLIDIN... 21557-09-5 Literature: Ju, Yuhong; Varma, Rajender S. Journal of Organic Chemistry, 2006 , vol. 71, # 1 p. 135 - 141 Precursor & DownStream Precursor 10 CAS#:123-75-1 Pyrrolidine CAS#:99-91-2 1-(4-Chlorophen... CAS#:13329-40-3 1-(4-Iodophenyl... CAS#:110-52-1 1,4-Dibromobutane DownStream 1 CAS#:216144-18-2 alpha-bromo-4-(... |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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