20430-33-5

• 常用中文名：(4-氰基苯)三苯基氯化膦
• 常用英文名：(4-cyanobenzyl)triphenylphosphonium chloride
• CAS号：20430-33-5
• 分子式：C₂₆H₂₁ClNP
• 分子量：413.87800
• 相关类别： 化学试剂 有机试剂 卤化磷
• 发布时间：2018-09-16 21:07:29
• 更新时间：2024-01-11 18:00:44

名称

• 中文名: (4-氰苄基)三苯基氯化膦
• 英文名: (4-cyanophenyl)methyl-triphenylphosphanium,chloride
• 中文别名: (4-氰基苄基)三苯基氯化膦
• 英文别名: (4-Cyanobenzyl)triphenylphosphonium chloride; 4-[(triphenylphosphino)methyl]benzenecarbonitrile,chloride; (4-cyanobenzyl)triphenylphosphonium salt; p-cyanobenzyl-triphenylphosphonium chloride; p-cyanobenzyltriphenylphosphonium cloride; MFCD00011752

物化性质

• 熔点: 327-330 °C
• 分子式: C₂₆H₂₁ClNP
• 分子量: 413.87800
• 精确质量: 413.11000
• PSA: 37.38000
• LogP: 2.05638
• 储存条件:

  保持贮藏器密封

  放入紧密的贮藏器内，储存在阴凉，干燥的地方

• 稳定性:

  如果遵照规格使用和储存则不会分解

  避免接触酸，氧化物

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  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:5

  5.互变异构体数量:无

  6.拓扑分子极性表面积23.8

  7.重原子数量:29

  8.表面电荷:0

  9.复杂度:462

  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:2

• 更多:

  1.性状：白色固体

  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）：326-328

  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: 4-Cyanobenzyltriphenylphosphonium chloride 98% Material Safety Data Sheet Synonym: None CAS: 20430-33-5 Section 1 - Chemical Product MSDS Name:4-Cyanobenzyltriphenylphosphonium chloride 98% Material Safety Data Sheet Synonym:None Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 20430-33-5 4-Cyanobenzyltriphenylphosphonium chlo 98 unlisted Hazard Symbols: XN Risk Phrases: 20/21/22 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Harmful by inhalation, in contact with skin and if swallowed.The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: May cause respiratory tract irritation. May be harmful if inhaled. Chronic: No information found. 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. 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. 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 appropriate foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. 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# 20430-33-5: 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: Crystals Color: white Odor: none reported pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 327 - 330 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: soluble Specific Gravity/Density: Molecular Formula: C26H21ClNP Molecular Weight: 413.89 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Dust generation, excess heat. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Hydrogen chloride, carbon monoxide, oxides of nitrogen, oxides of phosphorus, irritating and toxic fumes and gases, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 20430-33-5 unlisted. LD50/LC50: Not available. Carcinogenicity: 4-Cyanobenzyltriphenylphosphonium chloride - 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: XN Risk Phrases: R 20/21/22 Harmful by inhalation, in contact with skin and if swallowed. Safety Phrases: WGK (Water Danger/Protection) CAS# 20430-33-5: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 20430-33-5 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 20430-33-5 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: 对水稍微危害的，若无政府许可，勿将材料排入周围环境

安全

• 危害码 (欧洲): Xn
• 风险声明 (欧洲): R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
• 安全声明 (欧洲): S26-S36/37/39
• 危险品运输编码: 3278
• 包装等级: III
• 危险类别: 6.1
• 海关编码: 2931900090

合成路线

603-35-0 874-86-2 ~87% 20430-33-5

文献：Ho, Jinn-Hsuan; Lee, Ya-Wen; Chen, Ying-Zhe; Chen, Pin-Sian; Liu, Wei-Qi; Ding, Yi-Shun Tetrahedron, 2013 , vol. 69, # 35 p. 7325 - 7332

874-89-5 603-35-0 ~% 20430-33-5

文献：Journal of Organic Chemistry, , vol. 58, # 21 p. 5643 - 5649

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海关

海关编码	2931900090
中文概述	2931900090. 其他有机-无机化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 最惠国关税:6.5%. 普通关税:30.0%
Summary	2931900090. other organo-inorganic compounds. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0%