2923-66-2

• 常用中文名：3'-氯-4'-氟苯乙酮
• 常用英文名：3'-Chloro-4'-fluoroacetophenone
• CAS号：2923-66-2
• 分子式：C₈H₆ClFO
• 分子量：172.584
• 相关类别： 化学试剂 有机试剂 芳香酮
• 发布时间：2018-06-02 08:00:00
• 更新时间：2024-01-02 11:30:42

• 主要用作农药和医药的中间体。

名称

• 中文名: 3-氯-4-氟苯乙酮
• 英文名: 1-(3-chloro-4-fluorophenyl)ethanone
• 中文别名: 3'-氯-4'-氟苯乙酮; 3'-氯-4'-氟苯乙酮(3-氯-4-氟苯乙酮)
• 英文别名: 1-acetyl-3-chloro-4-fluorobenzene; 1-(3-Chloro-4-fluorophenyl)ethan-1-one; 1-(3-Chloro-4-fluorophenyl)ethanone; 3'-Chloro-4'-fluoroacetophenone; 1-(3-chloro-4-fluoro-phenyl)-ethanone; 3′-Chloro-4′-fluoroacetophenone; GR BF EV1; 3-Chloro-4-fluoroacetophenone; Ethanone, 1-(3-chloro-4-fluorophenyl)-; MFCD00042203

物化性质

• 密度: 1.3±0.1 g/cm3
• 沸点: 252.4±25.0 °C at 760 mmHg
• 熔点: 42 °C
• 分子式: C₈H₆ClFO
• 分子量: 172.584
• 闪点: 106.5±23.2 °C
• 精确质量: 172.009125
• PSA: 17.07000
• LogP: 2.67
• 外观性状: 固体;White to Light yellow to Dark green powder to crystal
• 蒸汽压: 0.0±0.5 mmHg at 25°C
• 折射率: 1.512
• 储存条件:

  密闭于阴凉干燥环境中

• 稳定性:

  遵照规定使用和储存则不会分解。

• 水溶解性: 可溶于：甲醇
• 分子结构:

  1、 摩尔折射率：41.16

  2、 摩尔体积（m³/mol）：137.1

  3、 等张比容（90.2K）：335.4

  4、 表面张力（dyne/cm）：35.8

  5、 极化率（10^-24cm³）：16.32

• 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:1

  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:160

  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：无可用

  2. 密度（g/mL,25/4℃）：无可用

  3. 相对蒸汽密度（g/mL,空气=1）：无可用

  4. 熔点（ºC）：35-37

  5. 沸点（ºC,常压）：126

  6. 沸点（ºC,5.2kPa）：无可用

  7. 折射率：无可用

  8. 闪点（ºC）：126-127

  9. 比旋光度（º）：无可用

  10. 自燃点或引燃温度（ºC）：无可用

  11. 蒸气压（kPa,25ºC）：无可用

  12. 饱和蒸气压（kPa,60ºC）：无可用

  13. 燃烧热（KJ/mol）：无可用

  14. 临界温度（ºC）：无可用

  15. 临界压力（KPa）：无可用

  16. 油水（辛醇/水）分配系数的对数值：无可用

  17. 爆炸上限（%,V/V）：无可用

  18. 爆炸下限（%,V/V）：无可用

  19. 溶解性：无可用

MSDS

Name: 1-(3-Chloro-4-fluorophenyl)ethan-1-one 97% Material Safety Data Sheet Synonym: CAS: 2923-66-2 Section 1 - Chemical Product MSDS Name:1-(3-Chloro-4-fluorophenyl)ethan-1-one 97% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 2923-66-2 1-(3-Chloro-4-fluorophenyl)ethan-1-one 97% unlisted Hazard Symbols: XI Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: Causes respiratory tract irritation. May be harmful if inhaled. Chronic: Not available. 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. Ingestion: Get medical aid. 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. 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: Vacuum or sweep up material and place into a suitable disposal container. Section 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. 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# 2923-66-2: 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: Solid Color: colorless Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 126 - 128 deg C @15mmHg Freezing/Melting Point: 40 - 42 deg C 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: C8H6ClFO Molecular Weight: 173 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Oxidizing agents, reducing agents, amines. Hazardous Decomposition Products: Hydrogen chloride, chlorine, carbon monoxide, carbon dioxide, fluorine, hydrogen fluoride gas. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 2923-66-2 unlisted. LD50/LC50: Not available. Carcinogenicity: 1-(3-Chloro-4-fluorophenyl)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 No information available. IMO No information available. RID/ADR No information available. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XI Risk Phrases: R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 Wear suitable gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 2923-66-2: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 2923-66-2 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 2923-66-2 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: 该物质对环境可能有危害，对水体应给予特别注意。

安全

• 危害码 (欧洲): Xi:Irritant;
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S26-S36/37/39-S37/39
• 海关编码: 2914700090

合成路线

348-51-6 75-36-5 ~% 2923-66-2

文献：Journal of the Chemical Society, , p. 2784 - 2787

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海关

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%