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| 中文名 | 3-甲氧基丙基 |
|---|---|
| 英文名 | 1-isothiocyanato-3-methoxypropane |
| 中文别名 | 3-甲氧基异硫氰酸丙酯 |
| 英文别名 |
3-methoxypropanisothiocyanate
1-isothiocyanato-3-methoxy-propane 3-METHOXYPROPYL ISOTHIOCYANATE 3-Methoxy-n-propyl isothiocyanate MFCD00022063 3-Methoxy-propylisothiocyanat |
| 密度 | 1.03 |
|---|---|
| 沸点 | 102 °C (35 mmHg) |
| 分子式 | C5H9NOS |
| 分子量 | 131.19600 |
| 闪点 | 77 °C |
| 精确质量 | 131.04000 |
| PSA | 53.68000 |
| LogP | 1.12570 |
| 外观性状 | 透明无色至淡黄色液体 |
| 蒸汽压 | 0.538mmHg at 25°C |
| 折射率 | 1.501-1.503 |
| 储存条件 | 常温密闭避光，通风干燥惰性气体下 |
| 稳定性 | 常温常压下稳定 避免的物料：水分/潮湿 氧化物 酸 |
| 分子结构 | 1、 摩尔折射率：37.16 2、 摩尔体积（m3/mol）：131.6 3、 等张比容（90.2K）：307.5 4、 表面张力（dyne/cm）：29.7 5、 极化率（10-24cm3）：14.73 |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:1.8 2.氢键供体数量:0 3.氢键受体数量:3 4.可旋转化学键数量:4 5.互变异构体数量:无 6.拓扑分子极性表面积53.7 7.重原子数量:8 8.表面电荷:0 9.复杂度:88.4 10.同位素原子数量:0 11.确定原子立构中心数量:0 12.不确定原子立构中心数量:0 13.确定化学键立构中心数量:0 14.不确定化学键立构中心数量:0 15.共价键单元数量:1 |
| 更多 | 1. 性状：不确定 2. 密度（g/mL,25/4℃）：1.03 3. 相对蒸汽密度（g/mL,空气=1）：不确定 4. 熔点（ºC）：不确定 5. 沸点（ºC,常压）：不确定 6. 沸点（ºC,35mmHg）：102 7. 折射率：1.501-1.503 8. 闪点（ºC）：77 9. 比旋光度（º）：不确定 10. 自燃点或引燃温度（ºC）：不确定 11. 蒸气压（kPa,25ºC）：不确定 12. 饱和蒸气压（kPa,60ºC）：不确定 13. 燃烧热（KJ/mol）：不确定 14. 临界温度（ºC）：不确定 15. 临界压力（KPa）：不确定 16. 油水（辛醇/水）分配系数的对数值：不确定 17. 爆炸上限（%,V/V）：不确定 18. 爆炸下限（%,V/V）：不确定 19. 溶解性：不确定 |
Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 36/37 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Irritating to eyes and respiratory system. Potential Health Effects Eye: Causes eye irritation. Skin: May cause skin irritation. Ingestion: May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. Inhalation: Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Chronic: Not available. Section 4 - FIRST AID MEASURES Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Get medical aid. Wash mouth out with water. Inhalation: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Notes to Physician: Section 5 - FIRE FIGHTING MEASURES General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Section 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Storage: Store in a cool, dry place. Store in a tightly closed container. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 17702-11-3: Personal Protective Equipment Eyes: Not available. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Liquid Color: light yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 102 deg C @ 35.00mm Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: 77 deg C ( 170.60 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: Molecular Weight: 131.20 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents, strong bases. Hazardous Decomposition Products: Carbon monoxide, oxides of nitrogen, oxides of sulfur, carbon dioxide. Hazardous Polymerization: Will not occur. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 17702-11-3 unlisted. LD50/LC50: Not available. Carcinogenicity: 3-Methoxypropylisothiocyanate - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA No information available. IMO No information available. RID/ADR No information available. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XI Risk Phrases: R 36/37 Irritating to eyes and respiratory system. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 39 Wear eye/face protection. WGK (Water Danger/Protection) CAS# 17702-11-3: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 17702-11-3 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 17702-11-3 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
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生态学数据: 通常对水体是稍微有害的，不要将未稀释或大量产品接触地下水，水道或污水系统，未经政府许可勿将材料排入周围环境。
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~33%
17702-11-3 |
| 文献：Gelder, Joel M. Van; Klein, Joseph Y.; Basel, Yochai; Reizelman, Anat; Tchilibon, Susanna; Mouallem, Orly Patent: US2008/39456 A1, 2008 ; Location in patent: Page/Page column 53 ; |
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~%
17702-11-3 |
| 文献：Journal of Medicinal Chemistry, , vol. 48, # 7 p. 2509 - 2517 |
| 上游产品 3 | |
|---|---|
| 下游产品 1 | |
| 海关编码 | 2930909090 |
|---|---|
| 中文概述 | 2930909090. 其他有机硫化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0% |
| 申报要素 | 品名, 成分含量, 用途 |
| Summary | 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
