中文名 | 4-甲氧基苯乙酰氯 |
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英文名 | 4-Methoxyphenylacetyl Chloride |
中文别名 | 4-甲氧基苯基乙酰基氯 |
英文别名 |
4-Methoxyphenylacetyl chloride
MFCD00075474 2-(4-methoxyphenyl)acetyl chloride |
密度 | 1.208 g/mL at 25 °C(lit.) |
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沸点 | 143 °C10 mm Hg(lit.) |
分子式 | C9H9ClO2 |
分子量 | 184.62000 |
闪点 | >230 °F |
精确质量 | 184.02900 |
PSA | 26.30000 |
LogP | 2.00310 |
外观性状 | 无色液体 |
折射率 | n20/D 1.54(lit.) |
储存条件 | 2-8℃ 通风干燥处,密封保存 |
稳定性 | 常温常压下稳定 |
分子结构 | 1、 摩尔折射率:47.35 2、 摩尔体积(m3/mol):154.7 3、 等张比容(90.2K):384.0 4、 表面张力(dyne/cm):37.9 5、 极化率(10 -24cm 3):18.77 |
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: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:151 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,25/4℃):1.208 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,10mmHg):143 7. 折射率:1.54 8. 闪点(ºF):>230 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:None Known Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 34 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Causes burns.Moisture sensitive. Potential Health Effects Eye: Causes eye burns. Lachrymator (substance which increases the flow of tears). Skin: Causes skin burns. Ingestion: Causes gastrointestinal tract burns. Inhalation: Causes chemical burns to the respiratory tract. Chronic: Chronic exposure may cause effects similar to those of acute exposure. 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. Do NOT allow victim to rub eyes or keep eyes closed. Skin: In case of contact, immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid immediately. Wash clothing before reuse. Ingestion: If swallowed, do NOT induce vomiting. Get medical aid immediately. If victim is fully conscious, give a cupful of water. Never give anything by mouth to an unconscious person. 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. Do NOT use mouth-to-mouth resuscitation. 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Will burn if involved in a fire. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Runoff from fire control or dilution water may cause pollution. Extinguishing Media: Use foam, dry chemical, or carbon dioxide. Do NOT get water inside containers. 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. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation. Do not get water inside containers. Section 7 - HANDLING and STORAGE Handling: Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Keep container tightly closed. Do not ingest or inhale. Use only in a chemical fume hood. Discard contaminated shoes. Keep from contact with moist air and steam. Storage: Store in a cool, dry place. Store in a tightly closed container. Corrosives area. Store protected from moisture. Store under nitrogen. 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# 4693-91-8: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166. 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: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 143 deg C @10mmHg Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: > 110 deg C (> 230.00 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: 1.208 Molecular Formula: C9H9ClO2 Molecular Weight: 184.62 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Moisture sensitive. Conditions to Avoid: Exposure to moist air or water. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Hydrogen chloride, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 4693-91-8 unlisted. LD50/LC50: Not available. Carcinogenicity: 4-Methoxyphenylacetyl chloride - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Ecotoxicity: Fish: Pseudomonas putida: 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: II IMO Shipping Name: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S. Hazard Class: 8 UN Number: 3265 Packing Group: II RID/ADR Shipping Name: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S. Hazard Class: 8 UN Number: 3265 Packing group: II 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# 4693-91-8: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 4693-91-8 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 4693-91-8 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
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 在眼睛上面:强烈腐蚀性影响 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 |
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信号词 | Danger |
危害声明 | H314 |
补充危害声明 | Reacts violently with water. |
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 3265 8/PG 2 |
WGK德国 | 3 |
包装等级 | II |
危险类别 | 8 |
~99% 4693-91-8 |
文献:Chatterjee, Arnab K.; Liu, Hong; Tully, David C.; Guo, Jianhua; Epple, Robert; Russo, Ross; Williams, Jennifer; Roberts, Michael; Tuntland, Tove; Chang, Jonathan; Gordon, Perry; Hollenbeck, Thomas; Tumanut, Christine; Li, Jun; Harris, Jennifer L. Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 10 p. 2899 - 2903 |
~% 4693-91-8 |
文献:Dynapol Patent: US4386206 A1, 1983 ; |
~% 4693-91-8 |
文献:Nabil Aboul-Enein; El-Azzounya; Maklad; Attia; Wiese Scientia Pharmaceutica, 2001 , vol. 69, # 4 p. 329 - 350 |
~% 4693-91-8 |
文献:Nabil Aboul-Enein; El-Azzounya; Maklad; Attia; Wiese Scientia Pharmaceutica, 2001 , vol. 69, # 4 p. 329 - 350 |
~% 4693-91-8 |
文献:Nabil Aboul-Enein; El-Azzounya; Maklad; Attia; Wiese Scientia Pharmaceutica, 2001 , vol. 69, # 4 p. 329 - 350 |