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| 中文名 | 5-吲哚硼酸频哪醇酯 |
|---|---|
| 英文名 | 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole |
| 中文别名 |
1H-吲哚-5-硼酸频哪醇酯
5-(4,4,5,5-四甲基-1,3,2-二氧硼戊环-2-基)-1H-吲哚 5-(4,4,5,5-四甲基-1,3,2-二氧杂硼烷-2-基)-1H-吲哚 吲哚-5-硼酸频哪酯 |
| 英文别名 |
5-Indolylboronic acid,pinacol ester
5-Indoleboronic Acid Pinacol Ester Indole-5-boronic acid pinacol ester 1H-Indole, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- 1H-Indole-5-boronic acid pinacol ester pinacol indol-5-ylboronate MFCD03789263 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole 5-Indoleboronicacidpinacolester |
| 密度 | 1.1±0.1 g/cm3 |
|---|---|
| 沸点 | 396.0±15.0 °C at 760 mmHg |
| 熔点 | 120-125 °C(lit.) |
| 分子式 | C14H18BNO2 |
| 分子量 | 243.109 |
| 闪点 | 193.3±20.4 °C |
| 精确质量 | 243.143066 |
| PSA | 34.25000 |
| LogP | 2.46710 |
| 外观性状 | 固体;White to Yellow to Orange powder to crystal |
| 蒸汽压 | 0.0±0.9 mmHg at 25°C |
| 折射率 | 1.562 |
| 储存条件 | 保存方法：密闭，阴凉，干燥处 |
| 稳定性 | 避氧化物、不相容的材料、矿物酸、卤素 |
| 水溶解性 | Insoluble |
| 分子结构 | 1、 摩尔折射率：70.93 2、 摩尔体积（cm3/mol）：218.5 3、 等张比容（90.2K）：548.1 4、 表面张力（dyne/cm）：39.5 5、 极化率（10-24cm3）：28.12 |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:无 2.氢键供体数量:1 3.氢键受体数量:2 4.可旋转化学键数量:1 5.互变异构体数量:无 6.拓扑分子极性表面积34.2 7.重原子数量:18 8.表面电荷:0 9.复杂度:316 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：浅黄色的固体 2. 密度（g/mL25 ºC）：未确定 3. 相对蒸汽密度（g/mL,空气=1）：未确定 4. 熔点（ºC）：114-116.5 5. 沸点（ºC,常压）：未确定 6. 沸点（ºC1mmHg）：未确定 7. 折射率：未确定 8. 闪点（ºF）：未确定 9. 比旋光度（º）：未确定 10. 自燃点或引燃温度（ºC）：未确定 11. 蒸气压（kPa,）：未确定 12. 饱和蒸气压（kPa,60ºC）：未确定 13. 燃烧热（KJ/mol）：未确定 14. 临界温度（ºC）：未确定 15. 临界压力（KPa）：未确定 16. 油水（辛醇/水）分配系数的对数值：未确定 17. 爆炸上限（%,V/V）：未确定 18. 爆炸下限（%,V/V）：未确定 19. 溶解性：不能溶解于水的 |
Synonym:Indole-5-boronic acid pinacol este Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: Causes respiratory tract irritation. May be harmful if inhaled. 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: Treat symptomatically and supportively. 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: Vacuum or sweep up material and place into a suitable disposal 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: Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 269410-24-4: 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: Solid Color: pale yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 114 - 116.5 deg C Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Insoluble. Specific Gravity/Density: Molecular Formula: C14H18BNO2 Molecular Weight: 243.11 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents, halogens, mineral acids. Hazardous Decomposition Products: Carbon monoxide, oxides of nitrogen, carbon dioxide, oxides of boron. Hazardous Polymerization: Will not occur. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 269410-24-4 unlisted. LD50/LC50: Not available. Carcinogenicity: 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan- 2-yl)-1H-indole - 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 Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XI Risk Phrases: R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 Wear suitable gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 269410-24-4: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 269410-24-4 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 269410-24-4 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
| 危害码 (欧洲) | Xn:Harmful; |
|---|---|
| 风险声明 (欧洲) | R22;R36/37/38 |
| 安全声明 (欧洲) | S26-S36-S36/37/39 |
| WGK德国 | 3 |
| 海关编码 | 2933990090 |
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~92%
269410-24-4 |
| 文献：Billingsley, Kelvin L.; Barder, Timothy E.; Buchwald, Stephen L. Angewandte Chemie - International Edition, 2007 , vol. 46, # 28 p. 5359 - 5363 |
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~83%
269410-24-4 |
| 文献：Prieto, Monica; Zurita, Esther; Rosa, Esmeralda; Munoz, Lourdes; Lloyd-Williams, Paul; Giralt, Ernest Journal of Organic Chemistry, 2004 , vol. 69, # 20 p. 6812 - 6820 |
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~%
269410-24-4 |
| 文献：Commonwealth Scientific and Industrial Research Organisation Patent: US6680401 B1, 2004 ; Location in patent: Page column 68 ; |
|
~74%
269410-24-4 |
| 文献：Chow, Wing Kin; So, Chau Ming; Lau, Chak Po; Kwong, Fuk Yee Chemistry - A European Journal, 2011 , vol. 17, # 25 p. 6913 - 6917 |
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~%
269410-24-4 |
| 文献：Deodhar, Mandar; Black, David Stc.; Shiu-Hin Chan, Daniel; Kumar, Naresh Heterocycles, 2010 , vol. 80, # 2 p. 1267 - 1274 |
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~%
269410-24-4 |
| 文献：Prieto, Monica; Zurita, Esther; Rosa, Esmeralda; Munoz, Lourdes; Lloyd-Williams, Paul; Giralt, Ernest Journal of Organic Chemistry, 2004 , vol. 69, # 20 p. 6812 - 6820 |
|
~%
269410-24-4 |
| 文献：Chow, Wing Kin; So, Chau Ming; Lau, Chak Po; Kwong, Fuk Yee Chemistry - A European Journal, 2011 , vol. 17, # 25 p. 6913 - 6917 |
| 上游产品 7 | |
|---|---|
| 下游产品 2 | |
| 海关编码 | 2933990090 |
|---|---|
| 中文概述 | 2933990090. 其他仅含氮杂原子的杂环化合物. 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:20.0% |
| 申报要素 | 品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期 |
| 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% |
