2-Pyrrolidinone 2-吡咯烷酮
CAS 616-45-5 MFCD00005270
化学结构图
SMILES: O=C1CCCN1
化学属性
| Mol. Formula | C4H7NO |
|---|---|
| Mol. Weight | 85 |
| Vapor Density | 2.9 (vs air) |
| Density | 1.12 g/mL at 25 °C(lit.) |
| Boiling Point | 245 °C(lit.) |
| Melting Point | 23-25 °C(lit.) |
| Refractive index | n20/D 1.487(lit.) |
| Flash Point | >110°(230°F) |
| TSCA | Yes |
| Solubility | MISCIBLE |
| pH | :A |
别名和识别编码
| Chemical Name | 2-Pyrrolidinone, 99% |
|---|---|
| Synonym | 2-氧代吡咯烷 2-PYRROLIDON A-酮吡咯啶 2-KETOPYRROLIDINE PIPERIDINIC ACID LACTAM A-吡咯酮 pyrrolidin-2-one Pyrrolidon-(2) 2-Pyrol4-aminobutyric acid lactam Γ-丁内酰胺 alpha-Pyrrolidinone γ-Aminobutyrolactam 2-Pyrrolidone Butyrolactam γ-Aminobutyric lactam gamma-Butyrolactam 2-吡咯酮 丁内酰胺 gamma-Aminobutyric lactam 2-Tetrahydropyrrolone 2-Pyrrolidone; Butyrolactam pyrrolidine-2-one 4-aminobutyricacidlactam 2-P 丁內醯胺 2-PYRROLIDINONE 4-丁内酰胺 α-Pyrrolidinone 2-吡咯烷酮 Butanoic acid, 4-amino-, lactam 2-呲咯酮 {uni_ha GAMMA-BUTYROLACTAM Azacyclopentan-2-one 四氫吡咯-2-酮 2-pyrrolidinone {hazard_com BUTYROLACTAM 4-Aminobutanoicacidlactam 2-喀酮(一氮五圜酮) {uni_h 2-Oxopyrrolidine 2-Pyrol pyrrolidone-2 2-吡咯酮 2-Pyrrolidone 丁内酰胺 gamma-Aminobutyrolactam 4-amino-butanoicacilactam Pyrrolidone 2-吡咯烷二酮,99% G-BUTYROLACTAM 吡咯啶酮 4-吡咯啶基吡啶 2-Ketopyrrolidine gamma-Aminobutyric acid lactam Y-Butyrolactam 2-PYRROLIDONE γ-butyrolactam 4-Aminobutyric acid lactam LAM 2-氧吡咯啶 ALPHA-PYRROLIDONE 2-吡咯烷酮,98% 砂质粘土 氮戊环酮 α-吡咯烷酮 2-AZACYCLOPENTANONE α-Pyrrolidone alpha-Pyrrolidone |
| MDL Number | MFCD00005270 |
| PubChem Substance ID | 12025 |
| Beilstein Registry Number | 105241 |
| EC Number | 210-483-1 |
| CAS Number | 616-45-5 |
| Merck Number | 14,8016 |
| Chemical Name Translation | 2-吡咯烷酮 |
| Wiswesser Line Notation | T5MVTJ |
| LabNetwork Molecule ID | LN00194919 |
| InChI | InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6) |
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分类
- {SNA} Building Blocks, C4 to C8, Chemical Synthesis, Heterocyclic Building Blocks, Pyrrolidines
- {SNA} Bioactive Small Molecules, Building Blocks, C4 to C8, Cell Biology, Chemical Synthesis, Heterocyclic Building Blocks, P, Pyrrolidines
- {uni_hamburg} no charge; nitrogen heterocycle; alicycle; 5ring; amide; lactame; 1fragment
相关文献及参考
- Short: III/35D3 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Carbon-13, Part 3: Heterocycles Author: Gupta, R.R.; Jain, M.; Lechner, M.D.; Mikhova, B.M. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35D3 Year: 2007 Keyword: C-13; NMR; carbon-13; chemical shifts; coupling constants; heterocycles; nuclear magnetic resonance ISBN: 978-3-540-29731-4 ISBN: 3-540-29731-6 Internet Resource: DOI: 10.1007/978-3-540-47067-0 RefComment: VIII, 342 p., 1 illus., Hardcover RefComment: Written for Science and engineers in the fields of physics, chemistry and physical chemistry who inted to use NMR to study the structure and the binding of molecules Abstract: Nuclear Magnetic Resonance (NMR) is based on the fact that certain nuclei exhibit a magnetic moment, orient by a magnetic field, and absorb characteristic frequencies in the radiofrequency part of the spectrum. NMR is now a leading technique and a powerful tool for the inve
安全信息
- S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
- R36 Irritating to eyes 刺激眼睛
- R22 Harmful if swallowed 吞咽有害
TYPE OF TEST : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE : Subcutaneous
SPECIES OBSERVED : Rodent - mouse
DOSE/DURATION : 10 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AEXPBL Archiv fuer Experimentelle Pathologie und Pharmakologie. (Leipzig,
Ger. Dem. Rep.) V.1-109, 1873-1925. For publisher information, see NSAPCC.
Volume(issue)/page/year: 50,199,1903TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 160 mg/kg TOXIC EFFECTS : Behavioral - coma Lungs, Thorax, or Respiration - dyspnea REFERENCE : TVLMB8 Trudy Volgogradskogo Gosudarstvennogo Meditsinskogo Instituta. Transactions of the Volgograd State Medical Institute. (Volgogradskii Gosudarstvennyi Meditskinskii Institut, Volgograd, USSR) 19
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 8 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4374826
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 3700 mg/kg TOXIC EFFECTS : Behavioral - changes in motor activity (specific assay) Lungs, Thorax, or Respiration - respiratory depression Nutritional and Gross Metabolic - body temperature decrease REFERENCE : AITEAT Archivum Immunologiae et Therapiae Experimentalis. (Ars Polona, POB 1001, 00-068 Warsaw 1, Poland) V.10- 1962- Volume(issue)/page/year: 13,70,1965
TYPE OF TEST : Sex chromosome loss and nondisjunction TEST SYSTEM : Yeast - Saccharomyces cerevisiae DOSE/DURATION : 352200 umol/L REFERENCE : EMMUEG Environmental and Molecular Mutagenesis. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.10- 1987- Volume(issue)/page/year: 11,31,1988
GHS Symbol
- P305+P351+P338
其他信息
- 外观性质:无色到淡黄色液体或结晶。
- Acros Organics:2-吡咯烷酮 2-Pyrrolidinone, 99%(616-45-5)
- MOL 文件:616-45-5.mol
- 下游产品:9-乙烯基蒽 --> 4-氨基丁酸 --> 1-(3-肼基丙基)吡咯烷-2-酮 --> N-(3'-丙胺基)-2-吡咯烷酮 --> 阿尼西坦 --> 1,5-二氮杂双环[4.3.0]壬-5-烯 --> 吡拉西坦 --> 吡咯烷酮盐酸盐
- 图谱信息:2-吡咯烷酮(616-45-5)红外图谱(IR1) 2-吡咯烷酮(616-45-5)核磁图( 1 HNMR) 2-吡咯烷酮(616-45-5)核磁图( 13 CNMR) 2-吡咯烷酮(616-45-5)红外图谱(IR2) 2-吡咯烷酮(616-45-5)质谱(MS)
- MSDS 信息:2-吡咯酮(616-45-5).msds
- 用途一:用作有机合成的原料及溶剂
- 上游原料:氢氧化铵 --> 氨 --> gamma-丁内酯
- 蒸气密度:2.9 (vs air)
- 2-吡咯烷酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 LA1533201 2-吡咯烷酮(剧毒) 500g 980元 2011/08/23 L0661602 2-吡咯烷酮(剧毒) 500g 980元 2010/06/21 132115000 2-吡咯烷酮 2-Pyrrolidinone 99% 500 ML 390元
- Alfa Aesar:2-吡咯烷二酮,99% 2-Pyrrolidinone, 99%(616-45-5)
- Sigma Aldrich:616-45-5(sigmaaldrich)
- 用途二:用作溶剂和有机合成中间体。用来制造尼龙-4及乙烯基吡咯烷酮等。
- 方法一:通常由γ-丁内酯经氨化而得。另一种制法是以顺酐为原料，经加氢、氨化而得，收率可达90%-92%。
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