59280-70-5

• 常用中文名：4'-氯-2'-氟乙酰苯胺
• 常用英文名：p-Chlorofluoroacetanilide
• CAS号：59280-70-5
• 分子式：C₈H₇ClFNO
• 分子量：187.599
• 发布时间：2018-07-06 17:54:08
• 更新时间：2024-01-16 23:56:30

• 用作精细化工中间体

名称

• 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

物化性质

• 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

MSDS

Name: 4 -Chloro-2 -Fluoroacetanilide 99+%(TLC) Material Safety Data Sheet Synonym: N-(4-Chloro-2-Fluorophenyl)Acetamid CAS: 59280-70-5 Section 1 - Chemical Product MSDS Name:4 -Chloro-2 -Fluoroacetanilide 99+%(TLC) Material Safety Data Sheet Synonym:N-(4-Chloro-2-Fluorophenyl)Acetamid Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 59280-70-5 4'-Chloro-2'-Fluoroacetanilide 99% unlisted Hazard Symbols: T 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

毒性和生态

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。

安全

• 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

合成路线

57946-56-2 108-24-7 ~96% 59280-70-5

文献：FLYNN, Daniel L.; KAUFMAN, Michael D. Patent: WO2013/184119 A1, 2013 ; Location in patent: Paragraph 0169 ;

57946-56-2 64-19-7 ~93% 59280-70-5

文献：Fujitsu Limited; KAMIYA, Nozomu; TOMONAGA, Atsushi; SUGIYAMA, Hajime Patent: EP2647622 A1, 2013 ; Location in patent: Paragraph 0137-0138 ;

399-31-5 ~% 57946-56-2 59280-70-5

文献：US3958976 A1, ;

399-31-5 ~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

57946-56-2 75-36-5 ~% 59280-70-5

文献：US5610120 A1, ;

399-31-5 ~% 59280-70-5 404-41-1

文献：US3987057 A1, ;

上下游产品

上游产品  5
57946-56-2 108-24-7 64-19-7 399-31-5
75-36-5
下游产品  3
4146-24-1 23474-98-8 57946-56-2

海关

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%