394-32-1

• 常用中文名：5-氟-2-羟基苯乙酮
• 常用英文名：5′-Fluoro-2′-hydroxyacetophenone
• CAS号：394-32-1
• 分子式：C₈H₇FO₂
• 分子量：154.138
• 相关类别： 化学试剂 有机试剂 芳香酮
• 发布时间：2018-06-17 19:15:39
• 更新时间：2024-01-02 19:13:46
• 下载msds

名称

• 中文名: 5-氟-2-羟基苯乙酮
• 英文名: 1-(5-Fluoro-2-hydroxyphenyl)-1-ethanone
• 中文别名: 5'-氟-2'-羟基苯乙酮; 2'-羟基-5'-氟苯乙酮; 2-乙酰基-4-氟苯酚
• 英文别名: 1-(5-Fluoro-2-hydroxyphenyl)ethanone; 5’-Fluoro-2’-hydroxyacetophenone; 5‘-Fluoro-2‘-hydroxyacetophenone; MFCD00011668; Acetophenone, 5'-fluoro-2'-hydroxy-; 1-(5-Fluoro-2-hydroxyphenyl)-1-ethanone; 1-(5-fluoro-2-hydroxyphenyl)ethan-1-one; EINECS 206-893-5; 5'-Fluoro-2'-hydroxyacetophenone; QR DF BV1; 5′-Fluoro-2′-hydroxyacetophenone; Ethanone, 1-(5-fluoro-2-hydroxyphenyl)-

物化性质

• 密度: 1.2±0.1 g/cm3
• 沸点: 182.2±0.0 °C at 760 mmHg
• 熔点: 56-58 °C(lit.)
• 分子式: C₈H₇FO₂
• 分子量: 154.138
• 闪点: 97.7±21.8 °C
• 精确质量: 154.043015
• PSA: 37.30000
• LogP: 2.30
• 外观性状: 黄色至棕色固体
• 蒸汽压: 0.6±0.3 mmHg at 25°C
• 折射率: 1.530
• 储存条件: 室温
• 水溶解性: 可溶 0.68 G/L
• 分子结构:

  1、 摩尔折射率：38.15

  2、 摩尔体积（m³/mol）：123.6

  3、 等张比容（90.2K）：314.5

  4、 表面张力（dyne/cm）：41.9

  5、 极化率（10 ^-24cm ³）：15.12

• 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:3

  4.可旋转化学键数量:1

  5.互变异构体数量:7

  6.拓扑分子极性表面积37.3

  7.重原子数量:11

  8.表面电荷:0

  9.复杂度:158

  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:

  一、物性数据

  性状：白色结晶性粉末

  密度（g/mL,25/4℃）：不可用

  相对蒸汽密度（g/mL,空气=1）：不可用

  熔点（ºC）：54-59

  沸点（ºC,常压）：65-66

  沸点（ºC,5.2kPa）：不可用

  折射率：不可用

  闪点（ºC）：不可用

  比旋光度（º）：不可用

  自燃点或引燃温度（ºC）：不可用

  蒸气压（kPa,25ºC）：不可用

  饱和蒸气压（kPa,60ºC）：不可用

  燃烧热（KJ/mol）：不可用

  临界温度（ºC）：不可用

  临界压力（KPa）：不可用

  油水（辛醇/水）分配系数的对数值：不可用

  爆炸上限（%,V/V）：不可用

  爆炸下限（%,V/V）：不可用

  溶解性：不可用

MSDS

Name: 5 -Fluoro-2 -Hydroxyacetophenone 97% Material Safety Data Sheet Synonym: 1-(5-Fluoro-2-Hydroxyphenyl)-1-Ethanone CAS: 394-32-1 Section 1 - Chemical Product MSDS Name:5 -Fluoro-2 -Hydroxyacetophenone 97% Material Safety Data Sheet Synonym:1-(5-Fluoro-2-Hydroxyphenyl)-1-Ethanone Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 394-32-1 5'-Fluoro-2'-Hydroxyacetophenone 97 206-893-5 Hazard Symbols: XI Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes, respiratory system and skin.The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: Causes eye irritation. May cause chemical conjunctivitis. Skin: Causes skin irritation. Ingestion: May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated. Inhalation: Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Can produce delayed pulmonary edema. Chronic: Effects may be delayed. 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. 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. 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. Extinguishing Media: Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. 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# 394-32-1: 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: A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Solid Color: yellow to brown Odor: None reported. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 65.0 - 66.0 deg C @ 8.00mmHg Freezing/Melting Point: 53.00 - 56.00 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: Specific Gravity/Density: Molecular Formula: C8H7FO2 Molecular Weight: 154.14 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable at room temperature in closed containers under normal storage and handling conditions. Conditions to Avoid: Incompatible materials, dust generation, excess heat, strong oxidants. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, hydrogen fluoride gas. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 394-32-1: AM8502300 LD50/LC50: CAS# 394-32-1: Oral, mouse: LD50 = >1 gm/kg. Carcinogenicity: 5'-Fluoro-2'-Hydroxyacetophenone - Not listed by ACGIH, IARC, or NTP. Other: See actual entry in RTECS for complete information. 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 Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material. 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 24/25 Avoid contact with skin and eyes. S 28A After contact with skin, wash immediately with plenty of water. 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# 394-32-1: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 394-32-1 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 394-32-1 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

毒理学数据: 二、毒理学数据： 急性毒性：不可用。 生态学数据: 三、生态学数据： 1、其它有害作用：该物质对环境可能有危害，对水体应给予特别注意。 CHEMICAL IDENTIFICATION RTECS NUMBER : AM8502300 CHEMICAL NAME : Acetophenone, 5'-fluoro-2'-hydroxy- CAS REGISTRY NUMBER : 394-32-1 BEILSTEIN REFERENCE NO. : 2359087 LAST UPDATED : 199612 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C8-H7-F-O2 MOLECULAR WEIGHT : 154.15 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : >1 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : MEXPAG Medicina Experimentalis. (Basel, Switzerland) V.1-11, 1959-64; V.18-19, 1968-69. For publisher information, see JNMDBO. Volume(issue)/page/year: 11,137,1964

安全

• 符号: GHS07
• 信号词: Warning
• 危害声明: H302-H315-H319-H335
• 警示性声明: P261-P305 + P351 + P338
• 个人防护装备: dust mask type N95 (US);Eyeshields;Gloves
• 危害码 (欧洲): Xn:Harmful;
• 风险声明 (欧洲): R22;R36/37/38
• 安全声明 (欧洲): S26-S37/39-S36/37/39
• 危险品运输编码: NONH for all modes of transport
• WGK德国: 3
• RTECS号: AM8502300
• 海关编码: 2914700090

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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%