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| 中文名 | 3,4-二氯苯乙酸甲酯 |
|---|---|
| 英文名 | Methyl 3,4-Dichlorophenylacetate |
| 中文别名 | 3,4-二氯苯基乙酸甲酯 |
| 英文别名 |
Methyl (3,4-dichlorophenyl)acetate
Benzeneacetic acid, 3,4-dichloro-, methyl ester methyl 2-(3,4-dichlorophenyl)acetate MFCD00800680 |
| 密度 | 1.3±0.1 g/cm3 |
|---|---|
| 沸点 | 274.5±25.0 °C at 760 mmHg |
| 熔点 | 25-27 |
| 分子式 | C9H8Cl2O2 |
| 分子量 | 219.065 |
| 闪点 | 112.8±22.2 °C |
| 精确质量 | 217.990128 |
| PSA | 26.30000 |
| LogP | 3.03 |
| 外观性状 | 透明无色液体 |
| 蒸汽压 | 0.0±0.6 mmHg at 25°C |
| 折射率 | 1.538 |
| 储存条件 | 室温，干燥 |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:3 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:13 8.表面电荷:0 9.复杂度:185 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 |
Synonym:None Known Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Ingestion: May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. Inhalation: May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Chronic: No information found. 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. Wash clothing before reuse. Ingestion: Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. 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 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. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Use with adequate ventilation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. 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# 6725-44-6: 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: Not available. Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. 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: C9H8Cl2O2 Molecular Weight: 218.96 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not currently available. Conditions to Avoid: None reported. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Hydrogen chloride, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 6725-44-6 unlisted. LD50/LC50: Not available. Carcinogenicity: Methyl 3,4-Dichlorophenylacetate - 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: Not regulated. Hazard Class: UN Number: Packing Group: IMO Shipping Name: Not regulated. Hazard Class: UN Number: Packing Group: RID/ADR Shipping Name: Not regulated. Hazard Class: UN Number: Packing group: 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# 6725-44-6: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 6725-44-6 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 6725-44-6 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
| 危害码 (欧洲) | Xi: Irritant; |
|---|---|
| 风险声明 (欧洲) | R36/37/38 |
| 安全声明 (欧洲) | S24/25 |
| 海关编码 | 2916399090 |
|
~97%
6725-44-6 |
| 文献：Haynes, Nancy-Ellen; Corbett, Wendy L.; Bizzarro, Fred T.; Guertin, Kevin R.; Hilliard, Darryl W.; Holland, George W.; Kester, Robert F.; Mahaney, Paige E.; Qi, Lida; Spence, Cheryl L.; Tengi, John; Dvorozniak, Mark T.; Railkar, Aruna; Matschinsky, Franz M.; Grippo, Joseph F.; Grimsby, Joseph; Sarabu, Ramakanth Journal of Medicinal Chemistry, 2010 , vol. 53, # 9 p. 3618 - 3625 |
|
~%
6725-44-6 |
| 文献：WO2012/75473 A1, ; Page/Page column 64-65 ; |
|
~%
6725-44-6 |
| 文献：US2003/92715 A1, ; US 20030092715 A1 |
| 海关编码 | 2916399090 |
|---|---|
| 中文概述 | 2916399090 其他芳香一元羧酸. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0% |
| 申报要素 | 品名, 成分含量, 用途, 丙烯酸、丙烯酸盐或酯应报明包装 |
| Summary | 2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
