22921-76-2
22921-76-2结构式
- 常用中文名：1-(2-溴乙氧基)-4-甲氧基苯
- 常用英文名：1-(2-BROMOETHOXY)-3-ETHYLBENZENE
- CAS号：22921-76-2
- 分子式：C9H11BrO2
- 分子量：231.08600
- 相关类别： 化学试剂 有机试剂 芳烃
- 发布时间：2019-01-01 18:40:13
- 更新时间：2024-01-03 17:16:23
| 中文名 | 1-(2-溴乙氧基)-4-甲氧基苯 |
|---|---|
| 英文名 | 1-(2-bromoethoxy)-4-methoxybenzene |
| 英文别名 |
MFCD00017893
2-bromoethyl 4-methoxyphenyl ether |
| 密度 | 1.382 g/cm3 |
|---|---|
| 沸点 | 140-142ºC (10 mmHg) ，291.7ºC at 760 mmHg |
| 熔点 | 46-50ºC |
| 分子式 | C9H11BrO2 |
| 分子量 | 231.08600 |
| 闪点 | 129.6ºC |
| 精确质量 | 229.99400 |
| PSA | 18.46000 |
| LogP | 2.46890 |
| 外观性状 | 灰白色至粉红色-米色结晶粉末,晶体或大块 |
| 蒸汽压 | 0.00335mmHg at 25°C |
| 折射率 | 1.534 |
| 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：51.97 2、 摩尔体积（m3/mol）：167.1 3、 等张比容（90.2K）：412.5 4、 表面张力（dyne/cm）：37.1 5、 极化率（10 -24cm 3）：20.60 |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:2.6 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:4 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:12 8.表面电荷:0 9.复杂度:111 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）：46-50 5. 沸点（ºC,常压）：140-142/10mmHg 6. 沸点（ºC,5.2kPa）：无可用 7. 折射率：无可用 8. 闪点（ºC）：150 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: 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# 22921-76-2: 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: Crystals Color: white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 140 - 142 deg C @10mmHg Freezing/Melting Point: 48 - 49 deg C Autoignition Temperature: Not available. Flash Point: 150 deg C ( 302.00 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: >250 deg C Solubility in water: Specific Gravity/Density: Molecular Formula: C9H11BrO2 Molecular Weight: 231.09 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide, hydrogen bromide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 22921-76-2 unlisted. LD50/LC50: Not available. Carcinogenicity: 1-(2-Bromoethoxy)-4-methoxybenzene - 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# 22921-76-2: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 22921-76-2 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 22921-76-2 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: 该物质对环境可能有危害，对水体应给予特别注意。
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| 危害码 (欧洲) | Xi: Irritant; |
|---|---|
| 风险声明 (欧洲) | R36/37/38 |
| 安全声明 (欧洲) | 37/39-26 |
| 海关编码 | 2909309090 |
|
~70%
22921-76-2 |
| 文献：Slyn'ko; Tormyshev Russian Journal of Organic Chemistry, 2000 , vol. 36, # 2 p. 254 - 257 |
|
~76%
22921-76-2 |
| 文献：Forgie, John C.; Rochefort, Dominic RSC Advances, 2013 , vol. 3, # 30 p. 12035 - 12038 |
|
~%
22921-76-2 |
| 文献：US2003/212094 A1, ; |
|
~%
22921-76-2 |
| 文献：Journal of the American Chemical Society, , vol. 71, p. 3089,3093 Journal of the American Chemical Society, , vol. 55, p. 1524,1526 |
|
~%
22921-76-2 |
| 文献：Journal of Medicinal Chemistry, , vol. 21, # 11 p. 1168 - 1171 |
| 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% |