Azepane-2-Thione 氮杂环庚烷-2-硫酮
CAS 7203-96-5 MFCD00006937
化学结构图
SMILES: S=C1CCCCCN1
化学属性
| Mol. Formula | C6H11NS |
|---|---|
| Mol. Weight | 129.22 |
| Boiling Point | 171°C/10mmHg(lit.) |
| Melting Point | 105.0 to 108.0 deg-C |
别名和识别编码
| Chemical Name | Azepane-2-Thione |
|---|---|
| Synonym | {uni_hamburg} Hexahydro-2H-azepine-2-thione 2-硫酮基环已亚胺 ε-Caprothiolactam 1-Aza-2-cycloheptanethione Azepane-2-thione 2H-Azepine-2-thione, hexahydro- ε-Thiocaprolactam ω-Thiocaprolactam cis-Hexahydro-2-azepinethione Perhydroazepine-2-thione ω-硫代己内酰胺 |
| MDL Number | MFCD00006937 |
| CAS Number | 7203-96-5 |
| EC Number | 230-572-9 |
| Reaxys-RN | 107028 |
| PubChem Substance ID | 87577068 |
| Chemical Name Translation | 氮杂环庚烷-2-硫酮 |
| Wiswesser Line Notation | T7NYTJ BUS -Z |
| InChIKey | APLHDUWNMGJBFD-UHFFFAOYSA-N |
| LabNetwork Molecule ID | LN01003722 |
| InChI | InChI=1S/C6H11NS/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8) |
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分类
- {SNA} Azepanes/Diazepanes, Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks
- {uni_hamburg} no charge; nitrogen heterocycle; alicycle; large ring; 7ring; 1fragment
相关文献及参考
- 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/35B Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Fluorine-19 and Nitrogen-15 Author: Balasubramanian, M.; Gupta, R.R.; Jain, M.; Perumal, S. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35B Year: 1998 ISBN: 3-540-63275-1 ISBN: 978-3-540-63275-7 Internet Resource: DOI:10.1007/b55685 RefComment: VII, 242 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 CO-ROM's.
安全信息
GHS Symbol
- 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。
- P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
- P301+P312+P330
- P302+P352+P312+P362+P364
- P304+P340+P312
- P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
- P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
- P501 Dispose of contents/container to..… 处理内容物/容器.....
- H302+H312+H332
- H315 Causes skin irritation 会刺激皮肤
- H319 Causes serious eye irritation 严重刺激眼睛
- H335 May cause respiratory irritation 可能导致呼吸道刺激
- S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
- S36 Wear suitable protective clothing 穿戴适当的防护服；
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 65 mg/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold REFERENCE : JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 14,846,1971
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