| 中文名 | 5-溴-2-乙氧基苯甲醛 |
|---|---|
| 英文名 | 5-bromo-2-ethoxybenzaldehyde |
| 英文别名 |
2-ethoxy-5-bromobenzaldehyde
2-Aethoxy-5-brom-benzaldehyd 5-bromo-2-ethoxy benzaldehyde MFCD00016600 |
| 密度 | 1.451 g/cm3 |
|---|---|
| 沸点 | 302.7ºC at 760 mmHg |
| 熔点 | 68-71 °C(lit.) |
| 分子式 | C9H9BrO2 |
| 分子量 | 229.07100 |
| 闪点 | 136.9ºC |
| 精确质量 | 227.97900 |
| PSA | 26.30000 |
| LogP | 2.66030 |
| 外观性状 | 白色片状 |
| 折射率 | 1.573 |
| 储存条件 | 存放在密封容器内，并放在阴凉，干燥处。储存的地方必须远离氧化剂。 |
| 稳定性 | 远离氧化物。 |
| 分子结构 | 1、 摩尔折射率：52.00 2、 摩尔体积（m3/mol）：157.7 3、 等张比容（90.2K）：399.2 4、 表面张力（dyne/cm）：40.9 5、 介电常数： 6、 偶极距（10 -24cm 3）： 7、 极化率：20.61 |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:2.4 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:3 5.互变异构体数量:无 6.拓扑分子极性表面积26.3 7.重原子数量:12 8.表面电荷:0 9.复杂度:150 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：白色晶状体粉末。 2. 密度（g/mL,25/4℃）：未确定 3. 相对蒸汽密度（g/mL,空气=1）：未确定 4. 熔点（ºC）：68-71 5. 沸点（ºC,常压）：未确定 6. 沸点（ºC,5.2kPa）：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：未确定 。 |
Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Air sensitive. 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: 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: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 79636-94-5: 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: Flakes Color: white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 67 - 71 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: Insoluble. 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. Hazardous Polymerization: Will not occur. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 79636-94-5 unlisted. LD50/LC50: Not available. Carcinogenicity: 5-Bromo-2-ethoxybenzaldehyde - 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# 79636-94-5: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 79636-94-5 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 79636-94-5 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: 对水稍微有危害的，不要让未稀释或者大量产品接触地下水，水道或者污水系统。若无政府许可，勿将材料排入周围环境。
|
| 危害码 (欧洲) | Xi:Irritant; |
|---|---|
| 风险声明 (欧洲) | R36/37/38 |
| 安全声明 (欧洲) | S37/39-S26 |
| WGK德国 | 3 |
| 海关编码 | 2913000090 |
|
~%
79636-94-5 |
| 文献：US6235771 B1, ; |
|
~95%
79636-94-5 |
| 文献：Kralj, Ana; Nguyen, Mai-Thao; Tschammer, Nuska; Ocampo, Nicolette; Gesiotto, Quinto; Heinrich, Markus R.; Phanstiel, Otto Journal of Medicinal Chemistry, 2013 , vol. 56, # 12 p. 5019 - 5032 |
|
~51%
79636-94-5 |
| 文献：Bhatt, Vivekanada M.; Perumal, Thirumalai P. Tetrahedron Letters, 1981 , vol. 22, # 27 p. 2605 - 2608 |
|
~%
79636-94-5 |
| 文献：US5593993 A1, ; |
|
~%
79636-94-5 |
| 文献：Justus Liebigs Annalen der Chemie, , vol. 145, p. 302 Journal of the Chemical Society, , vol. 55, p. 550 |
| 上游产品 6 | |
|---|---|
| 下游产品 0 | |
| 海关编码 | 2913000090 |
|---|---|
| 中文概述 | 2913000090 品目2912所列产品的其他衍生物〔指卤化,磺化,硝化或亚硝化的衍生物〕. 增值税率:17.0% 退税率:9.0% 监管条件:无 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 | HS: 2913000090 halogenated, sulphonated, nitrated or nitrosated derivatives of products of heading 2912 Educational tariff:17.0% Tax rebate rate:9.0% Regulatory conditions:none Most favored nation tariff:5.5% General tariff:30.0% |
