中文名 | 双(乙酸根合-O)(3-甲氧)碘 |
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英文名 | [acetyloxy-(3-methoxyphenyl)-λ3-iodanyl] acetate |
英文别名 |
3-methoxyphenyliodine diacetate
MFCD00143760 3-methoxyiodobenzene diacetate HMS1439P16 3-Methoxy-phenyliodosoacetat |
熔点 | 134-138ºC |
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分子式 | C11H13IO5 |
分子量 | 352.12200 |
精确质量 | 351.98100 |
PSA | 61.83000 |
LogP | 2.32740 |
储存条件 | 密闭于阴凉干燥环境中 |
稳定性 | 遵照规定使用和储存则不会分解。 |
分子结构 | 1、摩尔折射率:无可用 2、 摩尔体积(cm3/mol):无可用 3、 等张比容(90.2K):无可用 4、 表面张力(dyne/cm):无可用 5、 极化率:无可用 |
计算化学 | 1.疏水参数计算参考值(XlogP):2.7 2.氢键供体数量:0 3.氢键受体数量:5 4.可旋转化学键数量:6 5.互变异构体数量:无 6.拓扑分子极性表面积61.8 7.重原子数量:17 8.表面电荷:0 9.复杂度:265 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:无可用 2. 密度(g/mL,25/4℃):无可用 3. 相对蒸汽密度(g/mL,空气=1):无可用 4. 熔点(ºC):134-138 5. 沸点(ºC,常压):无可用 6. 沸点(ºC,5.2kPa):无可用 7. 折射率:无可用 8. 闪点(ºC):无可用 9. 比旋光度(º):无可用 10. 自燃点或引燃温度(ºC):无可用 11. 蒸气压(kPa,25ºC):无可用 12. 饱和蒸气压(kPa,60ºC):无可用 13. 燃烧热(KJ/mol):无可用 14. 临界温度(ºC):无可用 15. 临界压力(KPa):无可用 16. 油水(辛醇/水)分配系数的对数值:无可用 17. 爆炸上限(%,V/V):无可用 18. 爆炸下限(%,V/V):无可用 19. 溶解性:无可用 |
Synonym:None Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Ingestion: The toxicological properties of this substance have not been fully investigated. Inhalation: The toxicological properties of this substance have not been fully investigated. Chronic: No information found. Section 4 - FIRST AID MEASURES Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Extinguishing Media: In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable container for disposal. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation. Handle under an inert atmosphere. Storage: Store in a cool, dry place. Keep container closed when not in use. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate general or local exhaust ventilation to keep airborne concentrations below the permissible exposure limits. Exposure Limits CAS# 69180-50-3: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166. Skin: Wear appropriate protective gloves and clothing to prevent skin exposure. Clothing: Wear appropriate protective clothing to minimize contact with skin. 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: Not available. Odor: none reported pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 136 deg C Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: >135 deg C Solubility in water: slightly soluble Specific Gravity/Density: Molecular Formula: C11H13IO5 Molecular Weight: 352.13 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. Hazardous Decomposition Products: Irritating and toxic fumes and gases. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 69180-50-3 unlisted. LD50/LC50: Not available. Carcinogenicity: Bis(acetato-O)(3-methoxyphenyl)iodine - 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: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 69180-50-3: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 69180-50-3 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 69180-50-3 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
生态学数据: 通常对水是不危害的,若无政府许可,勿将材料排入周围环境。
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安全声明 (欧洲) | 24/25 |
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~74% 69180-50-3 |
文献:Zielinska, Agnieszka; Skulski, Lech Molecules, 2002 , vol. 7, # 11 p. 806 - 809 |
~16% 69180-50-3 |
文献:Chun, Joong-Hyun; Lu, Shuiyu; Pike, Victor W. European Journal of Organic Chemistry, 2011 , # 23 p. 4439 - 4447 |
~95% 69180-50-3 |
文献:Hossain, Md. Delwar; Kitamura, Tsugio Journal of Organic Chemistry, 2005 , vol. 70, # 17 p. 6984 - 6986 |
~% 69180-50-3 |
文献:Shah, A.; Widdowson, D. A.; Pike, V. W. Journal of Labelled Compounds and Radiopharmaceuticals, 1997 , vol. 40, p. 65 - 67 |
~% 69180-50-3 |
文献:White; Caravatti; Kline; et al. Tetrahedron, 1983 , vol. 39, # 14 p. 2393 - 2397 |