| 中文名 | 2-溴-1-(3,4-二氢-1,5-苯并氧-7-)乙酮 |
|---|---|
| 英文名 | 2-bromo-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanone |
| 中文别名 | 7-溴乙酰基-3,4-二氢-1,5-苯并二噁庚 |
| 英文别名 |
MFCD00218462
2-bromo-1-(3,4-dihydro-2H-benzo[b]1,4-dioxepin-7-yl)ethanone 2-BROMO-1-(3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YL)ETHAN-1-ONE 2-bromo-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-ethanone Brommethyl-3,4-dihydro-1,5-benzodioxepin-7-yl-keton 3,4-(trimethylenedioxy)phenacyl bromide BB_SC-4207 |
| 密度 | 1.499g/cm3 |
|---|---|
| 沸点 | 373.8ºC at 760mmHg |
| 熔点 | 73-75°C |
| 分子式 | C11H11BrO3 |
| 分子量 | 271.10700 |
| 闪点 | 179.8ºC |
| 精确质量 | 269.98900 |
| PSA | 35.53000 |
| LogP | 2.42550 |
| 折射率 | 1.57 |
| 储存条件 | 密封、阴凉、干燥、通风保存 |
| 稳定性 | 常规情况下不会分解，没有危险反应 |
| 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:3 4.可旋转化学键数量:2 5.互变异构体数量:2 6.拓扑分子极性表面积35.5 7.重原子数量:15 8.表面电荷:0 9.复杂度:232 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：粉末 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）：74-78 5. 沸点（ºC,常压）： 未确定 6. 沸点（ºC,35mm hg）：未确定 7. 折射率：未确定 8. 闪点（ºC）：未确定 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：不能溶解的 |
Synonym:3,4-Trimethylenedioxyphenacylbromid Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 34 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Causes burns. Potential Health Effects Eye: Causes eye burns. Skin: Causes skin burns. Ingestion: Causes gastrointestinal tract burns. Inhalation: Causes chemical burns to the respiratory tract. Chronic: Not available. 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 immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Do not induce vomiting. Get medical aid immediately. Inhalation: Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. 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 foam, dry chemical, or carbon dioxide. 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: Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood. Storage: Store in a cool, dry place. Store in a tightly closed container. Corrosives area. 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# 35970-34-4: 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: Solid Color: tan Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 73 - 75 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: C11H11BrO3 Molecular Weight: 271 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide, hydrogen bromide, bromine. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 35970-34-4 unlisted. LD50/LC50: Not available. Carcinogenicity: 2-Bromo-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethan-1-one - 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 Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.* Hazard Class: 8 UN Number: 3261 Packing Group: III IMO Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S. Hazard Class: 8 UN Number: 3261 Packing Group: III RID/ADR Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S. Hazard Class: 8 UN Number: 3261 Packing group: III Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: C Risk Phrases: R 34 Causes burns. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 Wear suitable protective clothing, gloves and eye/face protection. S 45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). WGK (Water Danger/Protection) CAS# 35970-34-4: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 35970-34-4 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 35970-34-4 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: 通常来说对水是无害的，若无政府许可，勿将材料排入周围环境。
|
| 危害码 (欧洲) | C: Corrosive; |
|---|---|
| 风险声明 (欧洲) | R36/37/38 |
| 安全声明 (欧洲) | S26-S36/37/39 |
| 危险品运输编码 | UN1759 |
| 包装等级 | III |
| 危险类别 | 8 |
| 海关编码 | 2932999099 |
|
~88%
35970-34-4 |
| 文献：Huang, Wei-Bin; Guo, Ying; Jiang, Jian-An; Pan, Xian-Dao; Liao, Dao-Hua; Ji, Ya-Fei Synlett, 2013 , vol. 24, # 6 art. no. ST-2013-W0052-L, p. 741 - 746 |
|
~%
35970-34-4 |
| 文献：Synlett, , vol. 24, # 6 art. no. ST-2013-W0052-L, p. 741 - 746 |
|
~%
35970-34-4 |
| 文献：Synlett, , vol. 24, # 6 art. no. ST-2013-W0052-L, p. 741 - 746 |
|
~%
35970-34-4 |
| 文献：Synlett, , vol. 24, # 6 art. no. ST-2013-W0052-L, p. 741 - 746 |
| 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% |
