147644-11-9

• 常用中文名：7-溴-3,4-二氢-1,5-苯并二噁庚
• 常用英文名：7-BROMO-3,4-DIHYDRO-2H-1,5-BENZODIOXEPINE
• CAS号：147644-11-9
• 分子式：C₉H₉BrO₂
• 分子量：229.071
• 发布时间：2018-12-24 16:08:04
• 更新时间：2024-01-02 09:07:42

名称

• 中文名: 7-溴-3,4-二氢-1,5-苯并二噁庚
• 英文名: 7-bromo-3,4-dihydro-2h-1,5-benzodioxepine
• 中文别名: 7-溴-3,4-二羟基-2H-1,5-苯并二氧
• 英文别名: 7-BROMO-3,4-DIHYDRO-2H-1,5-BENZODIOXEPINE; 7-Bromo-3,4-dihydro-2H-benzo[b][1,4]dioxepine; 7-bromo-3,4-dihydro-2H-1,5-benzodioxepin; 7-Bromo-3,4-dihydro-1,5-benzodioxepin; 2H-1,5-Benzodioxepin, 7-bromo-3,4-dihydro-

物化性质

• 密度: 1.5±0.1 g/cm3
• 沸点: 276.1±29.0 °C at 760 mmHg
• 分子式: C₉H₉BrO₂
• 分子量: 229.071
• 闪点: 123.7±19.8 °C
• 精确质量: 227.978592
• PSA: 18.46000
• LogP: 3.43
• 外观性状: 液体
• 蒸汽压: 0.0±0.5 mmHg at 25°C
• 折射率: 1.561
• 储存条件:

  保存方法：密闭，阴凉，通风干燥处

• 稳定性:

  避氧化物

• 分子结构:

  1、摩尔折射率：49.32

  2、摩尔体积（cm³/mol）：152.2

  3、等张比容（90.2K）：393.2

  4、表面张力（dyne/cm）：44.4

  5、介电常数：无可用的

  6、极化率（10^-24cm³）：19.55

  7、单一同位素质量：227.978585 Da

  8、标称质量：228 Da

  9、平均质量：229.0706 Da

• 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:12

  8.表面电荷:0

  9.复杂度:152

  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：无色液体 2. 密度（g/mL, 20 ℃ ）：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,常压）：82

  6. 沸点（ºC 3mmHg）：未确定

  7. 折射率：未确定

  8. 闪点（ºF 16mm）：145-148

  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,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: 7-Bromo-3 4-dihydro-2H-1 5-benzodioxepine 97% Material Safety Data Sheet Synonym: CAS: 147644-11-9 Section 1 - Chemical Product MSDS Name:7-Bromo-3 4-dihydro-2H-1 5-benzodioxepine 97% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 147644-11-9 7-Bromo-3,4-dihydro-2H-1,5-benzodioxep 97% 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: 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: 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# 147644-11-9: 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: colorless Odor: odorless - slight odor pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 82 - 94 deg C @0.15mmHg 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: Solubility in water: Specific Gravity/Density: Molecular Formula: C9H9BrO2 Molecular Weight: 229.07 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, bromine. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 147644-11-9 unlisted. LD50/LC50: Not available. Carcinogenicity: 7-Bromo-3,4-dihydro-2H-1,5-benzodioxepine - 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: 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# 147644-11-9: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 147644-11-9 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 147644-11-9 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: 1、其它有害作用：通常对水是稍微危害的，若无政府许可，勿将材料排入周围环境。

安全

• 危害码 (欧洲): Xi
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S26
• 海关编码: 2932999099

合成路线

7216-18-4 ~% 147644-11-9

文献：US6235771 B1, ;

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%