115298-63-0

• 常用中文名：(4-METHOXYPHENYL)PHENYLIODONIUM TRIFLATE
• 常用英文名：(4-METHOXYPHENYL)PHENYLIODONIUM TRIFLATE
• CAS号：115298-63-0
• 分子式：C₁₄H₁₂F₃IO₄S
• 分子量：460.20700
• 发布时间：2018-06-15 16:20:35
• 更新时间：2024-01-01 19:38:49

名称

• 英文名: (4-methoxyphenyl)-phenyliodanium,trifluoromethanesulfonate
• 英文别名: 4-methoxyphenyl.phenyliodonium trifluoromethanesulfonate; (4-Methoxyphenyl)phenyliodonium triflate; p-anisylphenyliodonium trifluoromethanesulfonate

物化性质

• 熔点: 109-111ºC
• 分子式: C₁₄H₁₂F₃IO₄S
• 分子量: 460.20700
• 精确质量: 459.94500
• PSA: 74.81000
• LogP: 0.95580
• 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）:无

  2.氢键供体数量:0

  3.氢键受体数量:7

  4.可旋转化学键数量:3

  5.互变异构体数量:无

  6.拓扑分子极性表面积74.8

  7.重原子数量:23

  8.表面电荷:0

  9.复杂度:314

  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:2

• 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）：109-111

  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

MSDS

Name: (4-Methoxyphenyl)phenyliodonium triflate Material Safety Data Sheet Synonym: CAS: 115298-63-0 Section 1 - Chemical Product MSDS Name:(4-Methoxyphenyl)phenyliodonium triflate Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 115298-63-0 (4-Methoxyphenyl)phenyliodonium trifla unlisted Hazard Symbols: XI 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# 115298-63-0: 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: Powder Color: off-white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 109 - 111 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: Specific Gravity/Density: Molecular Formula: C13H12IO.CF3O3S Molecular Weight: 460.21 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials, excess heat. Incompatibilities with Other Materials: Strong oxidizing agents, acids, alkalies. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide, hydrogen fluoride gas, hydrogen iodide, sulfur oxides (SOx), including sulfur oxide and sulfur dioxide. Hazardous Polymerization: Will not occur. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 115298-63-0 unlisted. LD50/LC50: Not available. Carcinogenicity: (4-Methoxyphenyl)phenyliodonium triflate - 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# 115298-63-0: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 115298-63-0 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 115298-63-0 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 该物质对环境可能有危害，对水体应给予特别注意。

安全

• 海关编码: 2909309090

合成路线

591-50-4 1493-13-6 100-66-3 ~85% 115298-63-0

文献：Bielawski, Marcin; Olofsson, Berit; Kraemer, Katja; Lautens, Mark Organic Syntheses, 2009 , vol. 86, p. 308 - 314

1493-13-6 696-62-8 71-43-2 ~87% 115298-63-0

文献：Malmgren, Joel; Santoro, Stefano; Jalalian, Nazli; Himo, Fahmi; Olofsson, Berit Chemistry - A European Journal, 2013 , vol. 19, # 31 p. 10334 - 10342

1493-13-6 3240-34-4 5720-07-0 ~96% 115298-63-0

文献：Carroll, Michael A.; Pike, Victor W.; Widdowson, David A. Tetrahedron Letters, 2000 , vol. 41, # 28 p. 5393 - 5396

1493-13-6 27126-77-8 ~98% 115298-63-0

文献：Malmgren, Joel; Santoro, Stefano; Jalalian, Nazli; Himo, Fahmi; Olofsson, Berit Chemistry - A European Journal, 2013 , vol. 19, # 31 p. 10334 - 10342

1493-13-6 3240-34-4 100-66-3 ~72% 115298-63-0

文献：Wang, Bijia; Cerny, Ronald L.; Uppaluri, Shriharsha; Kempinger, Jayson J.; Dimagno, Stephen G. Journal of Fluorine Chemistry, 2010 , vol. 131, # 11 p. 1113 - 1121

71-43-2 ~% 115298-63-0

文献：Malmgren, Joel; Santoro, Stefano; Jalalian, Nazli; Himo, Fahmi; Olofsson, Berit Chemistry - A European Journal, 2013 , vol. 19, # 31 p. 10334 - 10342

100-66-3 ~% 115298-63-0

文献：Jalalian, Nazli; Petersen, Tue B.; Olofsson, Berit Chemistry--A European Journal, 2012 , vol. 18, # 44 p. 14140 - 14149,10

696-62-8 ~% 115298-63-0

文献：Malmgren, Joel; Santoro, Stefano; Jalalian, Nazli; Himo, Fahmi; Olofsson, Berit Chemistry - A European Journal, 2013 , vol. 19, # 31 p. 10334 - 10342

1493-13-6 536-80-1 100-66-3 ~% 115298-63-0

文献：Kitamura; Matsuyuki; Nagata; Furuki; Taniguchi Synthesis, 1992 , # 10 p. 945 - 946

上下游产品

上游产品  9
591-50-4 1493-13-6 100-66-3 696-62-8
71-43-2 3240-34-4 5720-07-0 27126-77-8
536-80-1
下游产品  9
331989-76-5 42545-43-7 3042-22-6 4995-12-4
613-37-6 92-52-4 3661-49-2 101-16-6
34009-61-5

海关

海关编码	2909309090
中文概述	2909309090 其他芳香醚及其卤化衍生物、磺化、硝化衍生物（包括亚硝化衍生物）。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:5.5%。普通关税:30.0%
申报要素	品名, 成分含量, 用途
Summary	2909309090 other aromatic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%