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| 中文名 | 2-溴-2'-氯苯乙酮 |
|---|---|
| 英文名 | 2-Bromo-2'-chloroacetophenone |
| 中文别名 |
2-溴-2’-氯苯乙酮
2-溴-2-氯苯乙酮 α-溴代邻氯苯乙酮 |
| 英文别名 |
MFCD00832993
2-Bromo-2′-chloroacetophenone Ethanone, 2-bromo-1-(2-chlorophenyl)- 2-Bromo-1-(2-chlorophenyl)ethanone 2-Bromo-2‘-chloroacetophenone |
| 密度 | 1.6±0.1 g/cm3 |
|---|---|
| 沸点 | 248.9±15.0 °C at 760 mmHg |
| 熔点 | 162-166ºC (20 MMHG) |
| 分子式 | C8H6BrClO |
| 分子量 | 233.490 |
| 闪点 | 104.3±20.4 °C |
| 精确质量 | 231.929047 |
| PSA | 17.07000 |
| LogP | 2.62 |
| 外观性状 | 无色液体 |
| 蒸汽压 | 0.0±0.5 mmHg at 25°C |
| 折射率 | 1.584 |
| 储存条件 | 避光，阴凉干燥处，密封保存 |
| 稳定性 | 常温常压下稳定，油状液体。沸点129-131℃（0.6kPa）。 |
| 分子结构 | 1、 摩尔折射率：48.90 2、 摩尔体积（m3/mol）：146.0 3、 等张比容（90.2K）：380.4 4、 表面张力（dyne/cm）：45.9 5、 极化率（10 -24cm 3）：19.38 |
| 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:1 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17.1 7.重原子数量:11 8.表面电荷:0 9.复杂度:149 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：灰黄色液体 2. 密度： 1.602
3. 相对蒸汽密度（g/mL,空气=1）：不确定 4. 熔点（ºC）：不确定 5. 沸点（ºC,常压）：不确定 6. 沸点（ºC,1mmHg）：105 7. 折射率（nD20）：不确定 8. 闪点（ºC）：>110 9. 比旋光度（º）：不确定 10. 燃点（ºC）：>110 11. 蒸气压（kPa,25ºC）：不确定 12. 饱和蒸气压（kPa,60ºC）：不确定 13. 燃烧热（KJ/mol）：不确定 14. 临界温度（ºC）：不确定 15. 临界压力（KPa）：不确定 16. 油水（辛醇/水）分配系数的对数值：不确定 17. 爆炸上限（%,V/V）：不确定 18. 爆炸下限（%,V/V）：不确定 19. 溶解性：不确定 |
Synonym:2-Bromo-2'-chloroacetophenon 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: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable 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# 5000-66-8: 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 - pale yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 162 - 166 deg C @ 20mmHg 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: C8H6BrClO Molecular Weight: 233.49 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Hydrogen chloride, chlorine, carbon monoxide, carbon dioxide, hydrogen bromide, bromine. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 5000-66-8 unlisted. LD50/LC50: Not available. Carcinogenicity: 2-Bromo-1-(2-chlorophenyl)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 LIQUID, ACIDIC, ORGANIC, N.O.S.* Hazard Class: 8 UN Number: 3265 Packing Group: III IMO Shipping Name: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S. Hazard Class: 8 UN Number: 3265 Packing Group: III RID/ADR Shipping Name: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S. Hazard Class: 8 UN Number: 3265 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# 5000-66-8: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 5000-66-8 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 5000-66-8 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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毒理学数据: 主要的刺激性影响 在皮肤上面：在皮肤和粘膜上造成腐蚀性影响，刺激皮肤和粘膜 在眼睛上面：强烈腐蚀性影响，刺激的影响 致敏作用：没有已知的敏化影响 生态学数据: 通常对水是不危害的，若无政府许可，勿将材料排入周围环境
|
| 符号 |
GHS05 |
|---|---|
| 信号词 | Danger |
| 危害声明 | H314 |
| 警示性声明 | P280-P305 + P351 + P338-P310 |
| 个人防护装备 | Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| 危害码 (欧洲) | C:Corrosive; |
| 风险声明 (欧洲) | R34 |
| 安全声明 (欧洲) | S26-S36/37/39-S45 |
| 危险品运输编码 | UN 2922 8/PG 2 |
| WGK德国 | 3 |
| 包装等级 | II |
| 危险类别 | 8 |
| 海关编码 | 2914700090 |
|
~81%
5000-66-8 |
| 文献：Denny, William Alexander; Hutchings, Richard H; Johnson, Douglas S; Kaltenbronn, James Stanely; Lee, Ho Huat; Leonard, Daniele Marie; Milbank, Jared Bruce John; Repine, Joseph Thomas; Rewcastle, Gordon William; White, Andrew David Patent: US2004/44057 A1, 2004 ; |
|
~83%
5000-66-8 |
| 文献：Chen, Zheng-Wang; Ye, Dong-Nai; Ye, Min; Zhou, Zhong-Gao; Li, Shen-Huan; Liu, Liang-Xian Tetrahedron Letters, 2014 , vol. 55, # 7 p. 1373 - 1375 |
|
~%
5000-66-8 |
| 文献：Kumar, Sunil; Gawandi, Vijay B.; Capito, Nicholas; Phillips, Robert S. Biochemistry, 2010 , vol. 49, # 36 p. 7913 - 7919 |
|
~%
5000-66-8 |
| 文献：Lutz et al. Journal of Organic Chemistry, 1947 , vol. 12, p. 617,680 |
| 上游产品 4 | |
|---|---|
| 下游产品 7 | |
| 海关编码 | 2914700090 |
|---|---|
| 中文概述 | 2914700090 其他酮及醌的卤化、磺化衍生物（包括硝化和亚硝化衍生物）. 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, 丙酮报明包装 |
| Summary | HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0% |
