5-Methoxy-2-Methyl-1,3-Benzoselenazole 5-甲氧基-2-甲基苯并硒杂唑
CAS 2946-17-0 MFCD00005558
化学结构图
SMILES: COc1ccc2[se]c(C)nc2c1
化学属性
| Mol. Formula | C9H9NOSe |
|---|---|
| Mol. Weight | 226.14 |
| Refractive index | 1.6360 to 1.6400 |
| Boiling Point | 142°C/3.5mmHg(lit.) |
| Density | 1.491 g/mL at 25 °C(lit.) |
| Flash Point | >110°(230°F) |
| TSCA | Yes |
别名和识别编码
| Chemical Name | 5-Methoxy-2-Methyl-1,3-Benzoselenazole |
|---|---|
| CAS Number | 2946-17-0 |
| PubChem Substance ID | 76274 |
| EC Number | 220-956-4 |
| MDL Number | MFCD00005558 |
| Reaxys-RN | 124233 |
| Beilstein Registry Number | 27(3/4)1904 |
| Synonym | Benzoselenazole, 5-methoxy-2-methyl- 5-甲氧基-2-甲基苯并硒二唑 5-Methoxy-2-methyl-benzoselenazole 5-甲氧基-2-甲基苯并硒杂唑 5-methoxy-2-methyl-benzoselenazol 5-Methoxy-2-methylbenzselenazole 5-甲氧基-2-甲基苯并硒唑 5-METHOXY-2-METHYLBENZSELENAZOLE 5-Methoxy-2-methylbenzoseleneazole 5-methoxy-2-methylbenzoselenazole 5-METHOXY-2-METHYLBENZOSELENAZOLE LABOTEST-BB LT00451742 |
| Chemical Name Translation | 5-甲氧基-2-甲基苯并硒杂唑 |
| InChIKey | LVIYTMFDCXRSDL-UHFFFAOYSA-N |
| LabNetwork Molecule ID | LN01743242 |
| InChI | InChI=1S/C9H9NOSe/c1-6-10-8-5-7(11-2)3-4-9(8)12-6/h3-5H,1-2H3 |
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分类
- {SNA} Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Others, Se-Containing
- Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Others, Se-Containing
- {SNA} Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Other Heterocyclic Building Blocks, Se-Containing
- {uni_hamburg} no charge; nitrogen heterocycle; other heterocycle; carbocycle; aromatic; large ring; fused rings; 5ring; 6ring; 9ring; ether; 1fragment
相关文献及参考
- Aldrich MSDS 1 , 1185:D / Corp MSDS 1 (2), 2253:B / FT-IR 1 (2), 705:C / FT-IR 2 (3), 3660:C / FT-NMR 1 (3), 212:A / IR-Spectra (3), 1283:C / IR-Spectra (2), 1116:D / NMR-Reference 2 (2), 579:D / RegBook 1 (2), 2459:H / Structure Index 1 , 389:C:5
- Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15
- Short: III/35C4 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Hydrogen-1, Part 4: Inorganic and Organometallic Compounds Author: Gupta, R.R.; Platzer, N. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35C4 Year: 2001 Keyword: Hydrogen 1; Nuclear Magnetic Resonance ISBN: 3-540-41059-7 ISBN: 978-3-540-41059-1 Internet Resource: DOI:10.1007/b76570 RefComment: VII, 299 pages. With CD-ROM. Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), and carbon-13 (subvol. D) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CD-ROM's.
安全信息
GHS Symbol
- H300+H330
- H301 Toxic if swallowed 吞食有毒
- H331 Toxic if inhaled 吸入中毒
- H373 May causes damage to organs through prolonged or repeated exposure 长期或频繁接触可能会损伤器官
- H400 Verytoxictoaquaticlife 对水生生物毒性非常大。
- H410 Verytoxictoaquaticlifewithlonglastingeffects 对水生生物毒性非常大并具有长期影响。
- P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
- P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
- P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
- P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
- P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
- P273 Avoid release to the environment. 避免释放到环境中。
- P284 Wear respiratory protection.? 佩戴呼吸保护装置。
- P301+P310
- P301+P310+P330
- P301+P316
- P304+P340
- P304+P340+P310
- P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/医师。
- P314 Get medical advice/attention if you feel unwell. 获取医疗咨询/就医，如果你觉得不舒服
- P316
- P319
- P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
- P330 Rinse mouth. 漱口
- P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
- P403+P233
- P405 Store locked up. 上锁保管。
- P501 Dispose of contents/container to..… 处理内容物/容器.....
- R33 Danger of cumulative effects 有累积作用的危险
- R50/53
- R23/25 Toxic by inhalation and if swallowed 吸入及吞食都有毒
- S1/2 None 上锁保管并避免儿童触及；
- S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
- S28 After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) 皮肤接触后，立即用大量…（由生产厂家指定）冲洗；
- S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
- S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中，参考特别指示/安全收据说明书；
- S20/21 When using do not eat, drink or smoke 使用时，不得进食，饮水或吸烟；
其他信息
- 图谱信息:5-甲氧基-2-甲基苯并硒唑 (2946-17-0)核磁图( 1 HNMR)
- MOL 文件:2946-17-0.mol
- Sigma Aldrich:2946-17-0(sigmaaldrich)
- Acros Organics:5-Methoxy-2-methylbenzselenazole, 97%(2946-17-0)
- Alfa Aesar:5-甲氧基-2-甲基苯并硒杂唑,97% 5-Methoxy-2-methylbenzoselenazole, 97%(2946-17-0)
- TCI Shanghai:5-甲氧基-2-甲基苯并硒唑 5-Methoxy-2-methylbenzoselenazole,>;96.0%(GC)(2946-17-0)
