13406-29-6

• 常用中文名：三(4-三氟甲苯基)膦
• 常用英文名：tris[4-(trifluoromethyl)phenyl]phosphane
• CAS号：13406-29-6
• 分子式：C₂₁H₁₂F₉P
• 分子量：466.279
• 相关类别： 有机原料 有机膦化合物
• 发布时间：2018-07-19 14:03:43
• 更新时间：2024-01-03 11:56:49
• 下载msds

名称

• 中文名: 三(4-三氟甲苯基)膦
• 英文名: tris(4-trifluoromethylphenyl)phosphine
• 中文别名: 三(对三氟甲苯基)膦; 三（4-三氟甲苯基）膦
• 英文别名: Phosphine, tris[4-(trifluoromethyl)phenyl]-; Tris(4-trifluoromethylphenyl)phosphine; Phosphine, tris(4-(trifluoromethyl)phenyl)-; MFCD00058883; Tris[4-(trifluoromethyl)phenyl]phosphine; Phosphine, tris(α,α,α-trifluoro-p-tolyl)-; Tris(4-(trifluoromethyl)phenyl)phosphine; tris[4-(trifluoromethyl)phenyl]phosphane

物化性质

• 沸点: 382.8±42.0 °C at 760 mmHg
• 熔点: 70-75 °C
• 分子式: C₂₁H₁₂F₉P
• 分子量: 466.279
• 闪点: 185.3±27.9 °C
• 精确质量: 466.053284
• PSA: 13.59000
• LogP: 7.41
• 外观性状: 淡黄色结晶粉末
• 蒸汽压: 0.0±0.8 mmHg at 25°C
• 储存条件:

  常温密闭，阴凉通风干燥

• 稳定性:

  常温常压下稳定

  避免的物料 氧化物
• 分子结构:

  1、摩尔折射率：无可用的

  2、摩尔体积（cm³/mol）：无可用的

  3、等张比容（90.2K）：无可用的

  4、表面张力（dyne/cm）：无可用的

  5、介电常数：无可用的

  6、极化率（10^-24cm³）：无可用的

  7、单一同位素质量：466.05329 Da

  8、标称质量：466 Da

  9、平均质量：466.2794 Da

• 计算化学:

  1.疏水参数计算参考值（XlogP）:7.3

  2.氢键供体数量:0

  3.氢键受体数量:9

  4.可旋转化学键数量:3

  5.互变异构体数量:无

  6.拓扑分子极性表面积0

  7.重原子数量:31

  8.表面电荷:0

  9.复杂度:478

  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：晶体状粉末

  2. 密度（g/mL,25/4℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：74-75

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,5.2kPa）：未确定

  7. 折射率：未确定

  8. 闪点（ºC）：未确定

  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：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: Tris(4-trifluoromethylphenyl)phosphine Material Safety Data Sheet Synonym: None Known CAS: 13406-29-6 Section 1 - Chemical Product MSDS Name:Tris(4-trifluoromethylphenyl)phosphine Material Safety Data Sheet Synonym:None Known Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 13406-29-6 Tris(4-trifluoromethylphenyl)phosphine 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. May cause chemical conjunctivitis. 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: No information found. 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. 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 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: Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Avoid generating dusty conditions. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse. 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# 13406-29-6: 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: Crystalline powder Color: fine - light yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 72 - 75 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: C21H12F9P Molecular Weight: 466.29 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Dust generation. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, oxides of phosphorus, carbon dioxide, hydrogen fluoride gas, phosphoric acid. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 13406-29-6 unlisted. LD50/LC50: Not available. Carcinogenicity: Tris(4-trifluoromethylphenyl)phosphine - 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: 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# 13406-29-6: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 13406-29-6 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 13406-29-6 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: 1、急性毒性：主要的刺激性影响：刺激皮肤和粘膜，没有已知的敏化影响 。 生态学数据: 通常对水体是稍微有害的，不要将未稀释或大量产品接触地下水，水道或污水系统，未经政府许可勿将材料排入周围环境。

安全

• 符号: GHS07
• 信号词: Warning
• 危害声明: H315-H319-H335-H413
• 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): Xi:Irritant;
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S26-S37/39
• 危险品运输编码: NONH for all modes of transport
• 海关编码: 2903999090

合成路线

13406-27-4 ~93% 13406-29-6

文献：Busacca, Carl A.; Raju, Ravinder; Grinberg, Nelu; Haddad, Nizar; James-Jones, Paul; Lee, Heewon; Lorenz, Jon C.; Saha, Anjan; Senanayake, Chris H. Journal of Organic Chemistry, 2008 , vol. 73, # 4 p. 1524 - 1531

198345-82-3 ~53% 13406-29-6

文献：Le Gall, Erwan; Ben Aissi, Karima; Lachaise, Isabelle; Troupel, Michel Synlett, 2006 , # 6 p. 954 - 956

402-43-7 ~% 13406-29-6

文献：Journal of Organic Chemistry, , vol. 56, # 8 p. 2762 - 2769

402-51-7 ~% 13406-29-6

文献：J. Gen. Chem. USSR (Engl. Transl.), , vol. 36, # 7 p. 1248 - 1254,1265 - 1269

上下游产品

上游产品  4
13406-27-4 198345-82-3 402-43-7 402-51-7
下游产品  1
13406-27-4

海关

海关编码	2903999090
中文概述	2903999090 其他芳烃卤化衍生物. 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
Summary	2903999090 halogenated derivatives of aromatic hydrocarbons VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%