31431-13-7

• 常用中文名：环丁基4-氟苯基酮
• 常用英文名：Methanone,cyclobutyl(4-fluorophenyl)-
• CAS号：31431-13-7
• 分子式：C₁₁H₁₁FO
• 分子量：178.20300
• 发布时间：2018-07-26 18:45:35
• 更新时间：2024-01-11 14:17:55
• 下载msds

名称

• 中文名: 环丁基4-氟苯基酮
• 英文名: cyclobutyl-(4-fluorophenyl)methanone
• 中文别名: 环丁基-4-氟基酮
• 英文别名: cyclobutyl(4-fluorophenyl)-methanone; MFCD00019264; Cyclobutyl-p-fluorphenylketon; cyclobutyl 4-fluorophenyl ketone; EINECS 250-628-6; Cyclobutyl-4-fluorophenyl ketone

物化性质

• 密度: 1.17g/cm3
• 沸点: 125-127ºC (8 torr)
• 分子式: C₁₁H₁₁FO
• 分子量: 178.20300
• 闪点: 104ºC
• 精确质量: 178.07900
• PSA: 17.07000
• LogP: 2.80850
• 折射率: 1.5265-1.5285
• 储存条件:

  保持贮藏器密封、储存在阴凉、干燥的地方，确保工作间有良好的通风或排气装置

• 稳定性:

  常温常压下稳定

• 计算化学:

  1.疏水参数计算参考值（XlogP）:2.7

  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:2

  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:13

  8.表面电荷:0

  9.复杂度:190

  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：黄色液体

  2. 密度（g/mL,20℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：未确定

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,1.1KPa）：125-127

  7. 折射率：n20/D 1.5265-1.5285

  8. 闪点（ºC）：104

  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（Pa,20ºC）：未确定

  12. 饱和蒸气压（KPa,20ºC）：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：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：未确定

MSDS

Name: Cyclobutyl-4-fluorophenyl ketone 98% Material Safety Data Sheet Synonym: CFK CAS: 31431-13-7 Section 1 - Chemical Product MSDS Name:Cyclobutyl-4-fluorophenyl ketone 98% Material Safety Data Sheet Synonym:CFK Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 31431-13-7 Cyclobutyl-4-fluorophenyl ketone 98 250-628-6 Hazard Symbols: None Listed. Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Not available. Potential Health Effects Eye: Produces irritation, characterized by a burning sensation, redness, tearing, inflammation, and possible corneal injury. Skin: May cause skin sensitization, an allergic reaction, which becomes evident upon re-exposure to this material. Prolonged and/or repeated contact may cause defatting of the skin and dermatitis. May cause irritation with pain and stinging, especially if the skin is abraded. Ingestion: May cause gastrointestinal irritation with nausea, vomiting and diarrhea. May cause kidney damage. May cause central nervous system depression, characterized by excitement, followed by headache, dizziness, drowsiness, and nausea. Advanced stages may cause collapse, unconsciousness, coma and possible death due to respiratory failure. Inhalation: Inhalation of high concentrations may cause central nervous system effects characterized by nausea, headache, dizziness, unconsciousness and coma. Inhalation of vapor may cause respiratory tract irritation. Chronic: May cause allergic skin reaction in some individuals. 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 immediately. Skin: Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists. Wash clothing before reuse. Ingestion: Do not induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid immediately. Inhalation: Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Do NOT use mouth-to-mouth resuscitation. 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. Vapors can travel to a source of ignition and flash back. Use water spray to keep fire-exposed containers cool. Containers may explode in the heat of a fire. This chemical poses an explosion hazard. May form explosive peroxides. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Extinguishing Media: For small fires, use dry chemical, carbon dioxide, water spray or alcohol-resistant foam. Use water spray to cool fire-exposed containers. Water may be ineffective. 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. Scoop up with a nonsparking tool, then place into a suitable container for disposal. Remove all sources of ignition. Provide ventilation. Clean up residual material by washing area with a 2-5% solution of soda ash. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Use spark-proof tools and explosion proof equipment. Avoid contact with eyes, skin, and clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Avoid ingestion and inhalation. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames. Storage: Keep away from heat, sparks, and flame. Keep away from sources of ignition. Keep from contact with oxidizing materials. 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 general or local exhaust ventilation to keep airborne concentrations below the permissible exposure limits. Exposure Limits CAS# 31431-13-7: 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 gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to minimize contact with skin. Respirators: A NIOSH/MSHA approved or European Standard EN 149 air purifying respirator with an organic vapor cartridge or canister may be permissible under certain circumstances where airborne concentrations are expected. 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: Liquid Color: clear yellow Odor: characteristic odor pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 125-127 deg C @ 8 mm Hg Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: 104 deg C ( 219.20 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C11H11FO Molecular Weight: 178.21 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. This material may be sensitive to peroxide formation. Conditions to Avoid: Excess heat. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide, hydrogen fluoride gas. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 31431-13-7 unlisted. LD50/LC50: Not available. Carcinogenicity: Cyclobutyl-4-fluorophenyl ketone - 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# 31431-13-7: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 31431-13-7 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 31431-13-7 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: 若无政府许可，勿将材料排入周围环境。

安全

• 安全声明 (欧洲): S24/25
• 海关编码: 2914700090

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%