59189-51-4

• 常用中文名：2,6-二氟二苯甲酮
• 常用英文名：2,6-difluorobenzophenone
• CAS号：59189-51-4
• 分子式：C₁₃H₈F₂O
• 分子量：218.19900
• 相关类别： 化学试剂 有机试剂 芳香酮
• 发布时间：2018-07-01 17:12:11
• 更新时间：2024-01-03 14:48:17

名称

• 中文名: 2,6-二氟二苯甲酮
• 英文名: 2,6-difluorobenzophenone
• 中文别名: 2,6-二氟苯甲酮
• 英文别名: (2,6-difluorophenyl)-phenylmethanone; EINECS 261-650-0; MFCD00009895

物化性质

• 密度: 1.244 g/mL at 25 °C(lit.)
• 沸点: 120 °C (2 mmHg)
• 分子式: C₁₃H₈F₂O
• 分子量: 218.19900
• 闪点: >230 °F
• 精确质量: 218.05400
• PSA: 17.07000
• LogP: 3.19580
• 折射率: n20/D 1.5645(lit.)
• 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：56.03

  2、 摩尔体积（m³/mol）：175.9

  3、 等张比容（90.2K）：441.1

  4、 表面张力（dyne/cm）：39.5

  5、 极化率（10^-24cm³）：22.21

• 计算化学:

  1.疏水参数计算参考值（XlogP）:3.5

  2.氢键供体数量:0

  3.氢键受体数量:3

  4.可旋转化学键数量:2

  5.互变异构体数量:无

  6.拓扑分子极性表面积17.1

  7.重原子数量:16

  8.表面电荷:0

  9.复杂度:238

  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：无色或棕色液体

  2. 密度（g/cm³ 20 ℃）：1.24

  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 ，1.5mmHg）：119-120

  6. 沸点（ºC,5.2kPa）：未确定

  7. 折射率（°）：1.5645

  8. 闪点（℉）：＞230

  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

  溶解性 (g/L ， 2 0 ℃ ) ：水：不能拌和或难以拌和的

MSDS

Name: 2 6-Difluorobenzophenone 97% Material Safety Data Sheet Synonym: CAS: 59189-51-4 Section 1 - Chemical Product MSDS Name:2 6-Difluorobenzophenone 97% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 59189-51-4 2,6-Difluorobenzophenone 97% 261-650-0 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: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable 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# 59189-51-4: 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: Clear liquid Color: colorless Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 120 deg C @2mmHg Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: > 110 deg C (> 230.00 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: 1.244 Molecular Formula: C13H8F2O Molecular Weight: 218.2 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. 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# 59189-51-4 unlisted. LD50/LC50: Not available. Carcinogenicity: 2,6-Difluorobenzophenone - 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 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 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# 59189-51-4: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 59189-51-4 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 59189-51-4 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): Xi
• 风险声明 (欧洲): 36/37/38
• 安全声明 (欧洲): S26-S37/39
• WGK德国: 3
• 海关编码: 2914700090

合成路线

372-18-9 98-88-4 ~79% 59189-51-4

文献：Dong, Zhibing; Clososki, Giuliano C.; Wunderlich, Stefan H.; Unsinn, Andreas; Li, Jinshan; Knochel, Paul Chemistry - A European Journal, 2009 , vol. 15, # 2 p. 457 - 468

108-86-1 1421364-35-3 ~% 119-61-9 59189-51-4

文献：Journal of Organic Chemistry, , vol. 78, # 4 p. 1665 - 1669

1897-52-5 98-80-6 ~30% 59189-51-4

文献：Zhao, Baowei; Lu, Xiyan Tetrahedron Letters, 2006 , vol. 47, # 38 p. 6765 - 6768

上下游产品

上游产品  6
1897-52-5 98-80-6 372-18-9 98-88-4
108-86-1 1421364-35-3
下游产品  0

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%