57744-67-9

• 常用中文名：6-碘-1,4-苯并二氧烷
• 常用英文名：3,4-ethylenedioxyiodobenzene
• CAS号：57744-67-9
• 分子式：C₈H₇IO₂
• 分子量：262.04400
• 发布时间：2018-09-01 17:07:59
• 更新时间：2024-01-05 11:51:30
• 下载msds

名称

• 中文名: 6-碘-1,4-苯并二氧烷
• 英文名: 6-iodo-2,3-dihydro-1,4-benzodioxine
• 中文别名: 3,4-亚乙基二氧基碘苯
• 英文别名: 6-iodo-2,3-dihydrobenzo[1,4]dioxine; 6-Iodo-2,3-dihydrobenzo[b][1,4]dioxine; 3,4-Ethylenedioxyiodobenzene; MFCD00221460; 4-iodo-1,2-ethylenedioxybenzene; 6-iodo-1,4-benzodioxane

物化性质

• 密度: 1.866g/cm3
• 沸点: 98 °C
• 分子式: C₈H₇IO₂
• 分子量: 262.04400
• 闪点: 100-102°C/0.25mm
• 精确质量: 261.94900
• PSA: 18.46000
• LogP: 2.06240
• 折射率: 1.629
• 储存条件:

  保持贮藏器密封、储存在阴凉、干燥的地方，确保工作间有良好的通风或排气装置

• 稳定性:

  如果遵照规格使用和储存则不会分解，未有已知危险反应

• 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:2

  4.可旋转化学键数量:0

  5.互变异构体数量:无

  6.拓扑分子极性表面积18.5

  7.重原子数量:11

  8.表面电荷:0

  9.复杂度:140

  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：液体

  2. 密度（g/mL,140ºC）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）： 未确定

  4. 熔点（ºC）：未确定

  5. 沸点（ºC）：98

  6. 沸点（ºC，0.25mmHg）：100-102

  7. 折射率：未确定

  8. 闪点（°C）：100-102°C/0.25mm;

  9. 比旋光度（ºC）：未确定

  10. 自燃点或引燃温度（ºC）： 未确定

  11. 蒸气压（kPa,25ºC）：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：未确定

MSDS

Name: 6-Iodo-2 3-dihydro-1 4-benzodioxine 97% Material Safety Data Sheet Synonym: 3,4-Ethylenedioxyiodobenzen CAS: 57744-67-9 Section 1 - Chemical Product MSDS Name:6-Iodo-2 3-dihydro-1 4-benzodioxine 97% Material Safety Data Sheet Synonym:3,4-Ethylenedioxyiodobenzen Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 57744-67-9 6-Iodo-2,3-dihydro-1,4-benzodioxine 97% unlisted Hazard Symbols: None Listed. Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Not available. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: May cause 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. 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: 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# 57744-67-9: 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 purple Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 100 - 102 deg C @0.2mmHg Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Not available. Solubility in water: Specific Gravity/Density: Molecular Formula: C8H7IO2 Molecular Weight: 262 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Acids, bases, oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide, hydrogen iodide, iodine. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 57744-67-9 unlisted. LD50/LC50: Not available. Carcinogenicity: 6-Iodo-2,3-dihydro-1,4-benzodioxine - 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: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 57744-67-9: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 57744-67-9 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 57744-67-9 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: 对水是稍微有危害的不要让未稀释或大量的产品接触地下水、水道或者污水系统，若无政府许可，勿将材料排入周围环境。

安全

• 危害码 (欧洲): C
• 风险声明 (欧洲): R34:Causes burns.
• 安全声明 (欧洲): S45-S36/37/39-S26
• 危险品运输编码: 1760
• 包装等级: II
• 危险类别: 8
• 海关编码: 2932999099

合成路线

22013-33-8 ~85% 57744-67-9

文献：SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH; CHIOSIS, Gabriela; TALDONE, Tony; SUN, Weilin Patent: WO2011/44394 A1, 2011 ; Location in patent: Page/Page column 110 ;

493-09-4 ~75% 57744-67-9

文献：Sosnowski, Maciej; Skulski, Lech Molecules, 2005 , vol. 10, # 2 p. 401 - 406

122-99-6 ~11% 493-09-4 57744-67-9 29639-77-8

文献：Tetrahedron Letters, , vol. 37, # 14 p. 2441 - 2444

122-99-6 ~12% 493-09-4 57744-67-9

文献：Journal of the Chemical Society - Perkin Transactions 1, , # 5 p. 787 - 793

上下游产品

上游产品  3
22013-33-8 493-09-4 122-99-6
下游产品  3
4442-54-0 155303-91-6 10288-72-9

海关

海关编码	2932999099
中文概述	2932999099. 其他仅含氧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
Summary	2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%