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用作精细化工中间体
| 中文名 | 4-氯-2-氟-N-乙酰基苯胺 |
|---|---|
| 英文名 | 4'-chloro-2'-fluoroacetanilide |
| 中文别名 |
2-氟-4-氯-N-乙酰苯胺
4'-氯-2'-氟乙酰苯胺 |
| 英文别名 |
MFCD00042520
N-(4-Chloro-2-fluorophenyl)acetamide Acetamide, N-(4-chloro-2-fluorophenyl)- 4'-chloro-2'-fluoroacetanilide p-Chlorofluoroacetanilide |
| 密度 | 1.4±0.1 g/cm3 |
|---|---|
| 沸点 | 312.8±32.0 °C at 760 mmHg |
| 熔点 | 154-156 °C(lit.) |
| 分子式 | C8H7ClFNO |
| 分子量 | 187.599 |
| 闪点 | 143.0±25.1 °C |
| 精确质量 | 187.020020 |
| PSA | 29.10000 |
| LogP | 1.43 |
| 外观性状 | 粉红色至淡棕色结晶粉末 |
| 蒸汽压 | 0.0±0.7 mmHg at 25°C |
| 折射率 | 1.569 |
| 储存条件 | 在密封的贮藏器内，并放置阴凉，干燥的地方通风保存 |
| 稳定性 | 避免接触氧化物 |
| 分子结构 | 1、 摩尔折射率：45.41 2、 摩尔体积（m3/mol）：138.6 3、 等张比容（90.2K）：354.0 4、 表面张力（dyne/cm）：42.4 5、 极化率（10-24cm3）：18.00 |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:无 2.氢键供体数量:1 3.氢键受体数量:2 4.可旋转化学键数量:1 5.互变异构体数量:3 6.拓扑分子极性表面积29.1 7.重原子数量:12 8.表面电荷:0 9.复杂度:176 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：白色或浅棕色晶体状粉末 2. 密度（g/cm3 20 ℃）：未确定 3. 相对蒸汽密度（g/mL,空气=1）：未确定 4. 熔点（ºC）：154-158 5. 沸点（ºC ，1.5mmHg）：未确定 6. 沸点（ºC,5.2kPa）：未确定 7. 折射率（°）：未确定 8. 闪点（℉）：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（25℃）：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(mg/mL，)：水：不溶 |
Synonym:N-(4-Chloro-2-Fluorophenyl)Acetamid Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 23/24/25 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Toxic by inhalation, in contact with skin and if swallowed. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Ingestion: May cause irritation of the digestive tract. May cause cardiac disturbances. May cause central nervous system depression. Inhalation: May cause respiratory tract irritation. May cause cardiac abnormalities. Inhalation at high concentrations may cause CNS depression and asphixiation. Chronic: No information found. 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. 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. Inhalation: Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Get medical aid. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask. Notes to Physician: 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. Containers may explode when heated. Non-combustible, substance itself does not burn but may decompose upon heating to produce irritating, corrosive and/or toxic fumes. Runoff from fire control or dilution water may cause pollution. Extinguishing Media: Use water spray to cool fire-exposed containers. Use agent most appropriate to extinguish fire. For small fires, use dry chemical, carbon dioxide, or water spray. For large fires, use dry chemical, carbon dioxide, alcohol-resistant foam, or water spray. 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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Storage: Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. 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# 59280-70-5: 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: Crystalline powder Color: slightly yellow Odor: None reported. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 156.00 - 158.00 deg C Autoignition Temperature: Not applicable. Flash Point: Not applicable. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: insoluble Specific Gravity/Density: Molecular Formula: C8H7ClFNO Molecular Weight: 187.60 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, dust generation, excess heat, strong oxidants. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Hydrogen chloride, nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, hydrogen fluoride gas, nitrogen. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 59280-70-5 unlisted. LD50/LC50: Not available. Carcinogenicity: 4'-Chloro-2'-Fluoroacetanilide - 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: TOXIC SOLID, ORGANIC, N.O.S.* Hazard Class: 6.1 UN Number: 2811 Packing Group: III IMO Shipping Name: TOXIC SOLID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2811 Packing Group: III RID/ADR Shipping Name: TOXIC SOLID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2811 Packing group: III Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: T Risk Phrases: R 23/24/25 Toxic by inhalation, in contact with skin and if swallowed. Safety Phrases: S 28A After contact with skin, wash immediately with plenty of water. S 36/37/39 Wear suitable protective clothing, gloves and eye/face protection. S 37 Wear suitable gloves. 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# 59280-70-5: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 59280-70-5 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 59280-70-5 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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生态学数据: 对水是不危害的，若无政府许可，勿将材料排入周围环境。
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| 危害码 (欧洲) | T,Xi |
|---|---|
| 风险声明 (欧洲) | R23/24/25 |
| 安全声明 (欧洲) | S45-S36/37/39 |
| WGK德国 | 3 |
| 海关编码 | 2924299090 |
|
~96%
59280-70-5 |
| 文献：FLYNN, Daniel L.; KAUFMAN, Michael D. Patent: WO2013/184119 A1, 2013 ; Location in patent: Paragraph 0169 ; |
|
~93%
59280-70-5 |
| 文献：Fujitsu Limited; KAMIYA, Nozomu; TOMONAGA, Atsushi; SUGIYAMA, Hajime Patent: EP2647622 A1, 2013 ; Location in patent: Paragraph 0137-0138 ; |
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59280-70-5 |
| 文献：US3958976 A1, ; |
|
~67%
59280-70-5 |
| 文献：Zhang, Chuan-Yu; Wang, Bao-Lei; Liu, Xing-Hai; Li, Yong-Hong; Wang, Su-Hua; Li, Zheng-Ming Heterocyclic Communications, 2008 , vol. 14, # 6 p. 397 - 404 |
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59280-70-5 |
| 文献：US5610120 A1, ; |
|
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59280-70-5 |
| 文献：US3987057 A1, ; |
| 上游产品 5 | |
|---|---|
| 下游产品 3 | |
| 海关编码 | 2924299090 |
|---|---|
| 中文概述 | 2924299090. 其他环酰胺（包括环氨基甲酸酯）（包括其衍生物以及他们的盐）. 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:30.0% |
| 申报要素 | 品名, 成分含量, 用途, 包装 |
| Summary | 2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
