2268-16-8

• 常用中文名：2,4,5-三氟苯酚
• 常用英文名：2,4,5-TRIFLUOROPHENOL
• CAS号：2268-16-8
• 分子式：C₆H₃F₃O
• 分子量：148.08300
• 相关类别： 有机原料 有机氟化合物 氟苯酚系列
• 发布时间：2018-06-25 18:22:32
• 更新时间：2024-01-13 10:03:39

名称

• 中文名: 2,4,5-三氟苯酚
• 英文名: 2,4,5-trifluorophenol
• 英文别名: 2,4,5-Trifluorophenol 1GR; 2,3-DIHYDRO-2-OXO-1H-BENZIMIDAZOLE-5-BORONIC ACID,PINACOL ESTER; 2,4,5-Tfifluorophenol; 2,4,5-trifluoro-phenol; 2,4,5-Trifluorophenol; MFCD00061215; 2,4,5-Trifluor-phenol

物化性质

• 密度: 1.473 g/cm3
• 沸点: 169.5ºC at 760 mmHg
• 熔点: 37-42 °C
• 分子式: C₆H₃F₃O
• 分子量: 148.08300
• 闪点: 54 °C
• 精确质量: 148.01400
• PSA: 20.23000
• LogP: 1.80950
• 外观性状: 白色结晶粉末或大块
• 蒸汽压: 1.16mmHg at 25°C
• 折射率: 1.471
• 储存条件:

  保持容器密封，放入紧密的出藏器内，储存在阴凉，干燥的地方

• 稳定性:

  避免氧化物接触

• 分子结构:

  1、 摩尔折射率：28.11

  2、 摩尔体积（m³/mol）：100.4

  3、 等张比容（90.2K）：243.6

  4、 表面张力（dyne/cm）：34.5

  5、 极化率（10 ^-24cm ³）：11.14

• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.9

  2.氢键供体数量:1

  3.氢键受体数量:4

  4.可旋转化学键数量:0

  5.互变异构体数量:3

  6.拓扑分子极性表面积20.2

  7.重原子数量:10

  8.表面电荷:0

  9.复杂度:120

  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：类似酚气味的白色晶体

  2. 密度（g/L,25ºC）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：39-42

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC 29mmHg）：未确定

  7. 折射率（nD20）：未确定

  8. 闪点（ºC）：54

  9. 比旋光度（）：未确定

  10. 自燃点或引燃温度（ºC）：55

  11. 蒸气压（Pa,25ºC）：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：不能 溶解的

MSDS

Name: 2 4 5-Trifluorophenol 98% Material Safety Data Sheet Synonym: None Known CAS: 2268-16-8 Section 1 - Chemical Product MSDS Name:2 4 5-Trifluorophenol 98% Material Safety Data Sheet Synonym:None Known Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 2268-16-8 2,4,5-Trifluorophenol 98% unlisted Hazard Symbols: XN Risk Phrases: 10 20/21/22 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Flammable. Harmful by inhalation, in contact with skin and if swallowed. Irritating to eyes, respiratory system and skin.Hygroscopic (absorbs moisture from the air). Potential Health Effects Eye: Causes eye irritation. May cause chemical conjunctivitis and corneal damage. Skin: Causes skin irritation. May be harmful if absorbed through the skin. May cause cyanosis of the extremities. Ingestion: May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated. Ingestion of large amounts may cause CNS depression. May be harmful if swallowed. Inhalation: Causes respiratory tract irritation. Aspiration may lead to pulmonary edema. May be harmful if inhaled. Vapors may cause dizziness or suffocation. May cause burning sensation in the chest. Chronic: Effects may be delayed. 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. 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. 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. Vapors may form an explosive mixture with air. Vapors can travel to a source of ignition and flash back. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Will burn if involved in a fire. Use water spray to keep fire-exposed containers cool. Containers may explode in the heat of a fire. Flammable liquid and vapor. Runoff from fire control or dilution water may cause pollution. Extinguishing Media: For small fires, use dry chemical, carbon dioxide, water spray or alcohol-resistant foam. For large fires, use water spray, fog, or alcohol-resistant foam. Use water spray to cool fire-exposed containers. Water may be ineffective. Do NOT use straight streams of water. 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. Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Use a spark-proof tool. Provide ventilation. A vapor suppressing foam may be used to reduce vapors. Section 7 - HANDLING and STORAGE Handling: Ground and bond containers when transferring material. Use spark-proof tools and explosion proof equipment. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Avoid contact with skin and eyes. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Keep away from heat, sparks and flame. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames. Storage: Keep away from sources of ignition. Store in a tightly closed container. Flammables-area. Store protected from moisture. Store in a cool, dry 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# 2268-16-8: 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: Solid Color: white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 39 - 42 deg C Autoignition Temperature: Not available. Flash Point: 54 deg C ( 129.20 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: F3C6H2OH Molecular Weight: 148.09 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, ignition sources, excess heat, exposure to moist air or water. Incompatibilities with Other Materials: Moisture, oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide, hydrogen fluoride gas. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 2268-16-8 unlisted. LD50/LC50: Not available. Carcinogenicity: 2,4,5-Trifluorophenol - 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: FLAMMABLE LIQUID, N.O.S.* Hazard Class: 3 UN Number: 1993 Packing Group: III IMO Shipping Name: FLAMMABLE LIQUID, N.O.S. Hazard Class: 3.3 UN Number: 1993 Packing Group: III RID/ADR Shipping Name: FLAMMABLE LIQUID, N.O.S. Hazard Class: 3 UN Number: 1993 Packing group: III Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XN Risk Phrases: R 10 Flammable. R 20/21/22 Harmful by inhalation, in contact with skin and if swallowed. R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 9 Keep container in a well-ventilated place. S 16 Keep away from sources of ignition - No smoking. S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 33 Take precautionary measures against static discharges. S 37/39 Wear suitable gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 2268-16-8: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 2268-16-8 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 2268-16-8 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: 对水是稍微有害的，不要让未稀释或大量的产品接触地下水，水道或者污水系统，若无政府许可，勿将材料排入周围环境

安全

• 危害码 (欧洲): F: Flammable;C: Corrosive;Xi: Irritant;
• 风险声明 (欧洲): 34-20/21/22-11-36/37/38
• 安全声明 (欧洲): S45-S36/37/39-S26-S16
• 危险品运输编码: 1993
• 包装等级: III
• 危险类别: 4.1
• 海关编码: 29081000

合成路线

367-34-0 ~% 2268-16-8

文献：Journal of the American Chemical Society, , vol. 81, p. 94,95, 97

327-54-8 ~% 2268-16-8

文献：Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), , p. 691 - 696

上下游产品

上游产品  2
367-34-0 327-54-8
下游产品  1
2267-67-6

海关

海关编码	2908199090
中文概述	HS:2908199090 其他酚及酚醇的仅含卤素取代基的衍生物及其盐 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
Summary	HS: 2908199090. derivatives of polyphenols or phenol-alcohols containing only halogen substituents and their salts. VAT:17.0%. tax rebate rate:9.0%. supervision conditions:None. MFN tariff:5.5%. general tariff:30.0%