51044-13-4

• 常用中文名：(4－溴苄基)三苯基溴化膦
• 常用英文名：(4-Bromobenzyl)(triphenyl)phosphonium bromide
• CAS号：51044-13-4
• 分子式：C₂₅H₂₁Br₂P
• 分子量：512.216
• 发布时间：2018-05-11 08:00:00
• 更新时间：2024-01-02 08:48:43

名称

• 中文名: (4-溴苄基)三苯基溴化磷鎓
• 英文名: (4-Bromobenzyl)Triphenylphosphonium Bromide
• 中文别名: (4-溴苄基)三苯基溴化膦
• 英文别名: (4-Bromobenzyl)(triphenyl)phosphonium bromide; (4-Bromobenzyl)triphenylphosphonium bromide; (4-bromophenyl)methyl-triphenylphosphanium,bromide; MFCD00051922; Phosphonium, [(4-bromophenyl)methyl]triphenyl-, bromide (1:1)

物化性质

• 熔点: 270-273 °C
• 分子式: C₂₅H₂₁Br₂P
• 分子量: 512.216
• 精确质量: 509.974762
• PSA: 13.59000
• LogP: 2.94720
• 外观性状: 固体;White to Almost white powder to crystal
• 储存条件: 存放于惰性气体之中;避免光,湿气 (吸湿)
• 水溶解性: 可溶于：甲醇
• 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:1

  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0

  7.重原子数量:28

  8.表面电荷:0

  9.复杂度:378

  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

MSDS

Name: (4-Bromobenzyl)triphenylphosphonium bromide 97% Material Safety Data Sheet Synonym: None CAS: 51044-13-4 Section 1 - Chemical Product MSDS Name:(4-Bromobenzyl)triphenylphosphonium bromide 97% Material Safety Data Sheet Synonym:None Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 51044-13-4 (4-Bromobenzyl)triphenylphosphonium br 97 unlisted Hazard Symbols: XI Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes, respiratory system and skin.Hygroscopic (absorbs moisture from the air). Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause gastrointestinal irritation with nausea, vomiting and diarrhea. May be harmful if swallowed. Inhalation: Causes respiratory tract irritation. May be harmful if inhaled. Can produce delayed pulmonary edema. 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Extinguishing Media: Use foam, dry chemical, or carbon dioxide. 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. Do not flush into a sewer. Clean up spills immediately, observing precautions in the Protective Equipment section. 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. Store protected from moisture. 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# 51044-13-4: 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: cream Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 270-273 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: Insoluble. Specific Gravity/Density: Molecular Formula: C25H21Br2P Molecular Weight: 521.24 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable at room temperature in closed containers under normal storage and handling conditions. Hygroscopic: absorbs moisture or water from the air. Conditions to Avoid: Exposure to moist air or water, heat. Incompatibilities with Other Materials: Oxidizing agents, strong acids, strong bases. Hazardous Decomposition Products: Carbon monoxide, oxides of phosphorus, carbon dioxide, hydrogen bromide. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 51044-13-4 unlisted. LD50/LC50: Not available. Carcinogenicity: (4-Bromobenzyl)triphenylphosphonium bromide - 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# 51044-13-4: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 51044-13-4 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 51044-13-4 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): Xi
• 风险声明 (欧洲): 36/37/38
• 安全声明 (欧洲): S37/39-S26
• 海关编码: 2931900090

合成路线

589-15-1 603-35-0 ~99% 51044-13-4

文献：VALORISATION-RECHERCHE, societe en commandite Patent: WO2005/97812 A1, 2005 ; Location in patent: Page/Page column 64 ;

106-38-7 ~% 51044-13-4

文献：Jiang, Xi-Kui; Ji, Guo-Zhen; Wang, Daniel Ze-Rong Journal of Fluorine Chemistry, 1996 , vol. 79, # 2 p. 173 - 178

106-38-7 603-35-0 ~% 51044-13-4

文献：Liu, Zhi-Qiang; Fang, Qi; Cao, Du-Xia; Wang, Dong; Xu, Gui-Bao Organic Letters, 2004 , vol. 6, # 17 p. 2933 - 2936

上下游产品

上游产品  3
589-15-1 603-35-0 106-38-7
下游产品  10
13041-70-8 4714-24-3 2844-19-1 160845-68-1
715-50-4 2039-82-9 32829-04-2 18869-30-2
23958-29-4 1762-84-1

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%