166172-63-0

• 常用中文名：(R)-1-{(SP)-2-[双[3,5-双(三氟甲基)苯基]膦基]二茂铁基}乙基二(3,5-二甲苯基)膦
• 常用英文名：(R)-(-)-1-{(S)-2-[Bis(3,5-di-trifluoromethylphenyl)phosphino]ferrocenyl}ethyldi-3,5-xylylphosphine
• CAS号：166172-63-0
• 分子式：C₄₄H₃₆F₁₂FeP₂
• 分子量：910.530
• 相关类别： 化学试剂 有机试剂 膦配体
• 发布时间：2018-10-20 13:30:57
• 更新时间：2024-01-05 11:42:11
• 下载msds

名称

• 中文名: (R)-(-)-1-{(S)-2-[双(3,5-二-三氟甲基苯基)膦]二茂铁基}乙基二-3,5-二甲苯基膦
• 英文名: (r)-(-)-1-[(s)-2-(di(3,5-bis-trifluoromethylphenyl)phosphino)ferrocenyl]ethyldi(3,5-dimethylphenyl)phosphine
• 中文别名: (R)-1-{(SP)-2-[双[3,5-双(三氟甲基)苯基]膦基]二茂铁基}乙基二(3,5-二甲苯基)膦; (1R)-1-[双[3,5-双(三氟甲基)苯基]膦基]-2-[(1R)-1-[双(3,5-二甲苯基)膦基]乙基]二茂铁(符合 标准)
• 英文别名: (R)-(-)-1-{(S)-2-[Bis(3,5-di-trifluoromethylphenyl)phosphino]ferrocenyl}ethyldi-3,5-xylylphosphine,min.; (R)-1-{(SP)-2-[Bis[3,5-bis(trifluoroMethyl)phenyl]phosphino]ferrocenyl}ethyldi(3,5-xylyl)phosphine; (R)-1-{(S)-2-[Bi; (R)-(-)-1-((S)-2-(Di(3,5-bis-trifluoromethylphenyl)phosphino)ferrocenyl)ethyl-di-(3,5-dimethylphenyl)phosphine; (R)-(-)-1-((S)-2-(Di(3,5-Bis-Trifluoromethylphenyl)Phosphino)Ferr; (R)-1-{(S)-2-[Bis[3,5-bis(trifluoromethyl)phenyl]phosphino]-ferrocenyl}ethyldi(3; (R)-(-)-1-{(S)-2-[Bis(3,5-di-trifluoromethylphenyl)phosphino]ferrocenyl}ethyldi-3,5-xylylphosphine; 1,2,3,4,5-Cyclopentanepentayl, compd. with 1-[bis[3,5-bis(trifluoromethyl)phenyl]phosphino]-2-[(1S)-1-[bis(3,5-dimethylphenyl)phosphino]ethyl]-1,2,3,4,5-cyclopentanepentayl, iron salt (1:1:1)

物化性质

• 分子式: C₄₄H₃₆F₁₂FeP₂
• 分子量: 910.530
• 精确质量: 910.145020
• PSA: 27.18000
• LogP: 12.41510
• 储存条件: 2~8℃，惰性气体氛围
• 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:14

  4.可旋转化学键数量:7

  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:59

  8.表面电荷:0

  9.复杂度:1050

  10.同位素原子数量:0

  11.确定原子立构中心数量:1

  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:3

MSDS

Section 1: Product Identification Chemical Name:(R)-(-)-1-{(S)-2-[Bis(3,5-di-trifluoromethylphenyl)phosphino]ferrocenyl}ethyldi-3,5-xylylphosphine, min. 97% CAS Registry Number:166172-63-0 Formula:C44H36F12FeP2 EINECS Number:None Chemical Family:organophosphine ligand Synonym:None Section 2: Composition and Information on Ingredients IngredientCAS NumberPercentACGIH (TWA)OSHA (PEL) Title Compound166172-63-0100%2.5mg/m3 (as F)2.5mg/m3 (as F) Section 3: Hazards Identification Emergency Overview:Irritating to skin, and eyes. May be irritating to the respiratory tract. May be harmful if swallowed. Primary Routes of Exposure:Ingestion, eyes Eye Contact:Causes slight to mild irritation of the eyes. Skin Contact:Causes slight to mild irritation of the skin. Inhalation:May be irritating to the nose, mucous membranes and respiratory tract. Ingestion:No information available on the physiological effects of ingestion. Acute Health Affects:Irritating to skin and eyes. May be irritating to the respiratory tract. Product contains fluorine which, under certain conditions of use, decomposition or metabolism, may generate Chronic Health Affects:fluoride ion causing nausea, vomiting, labored breathing, hypocalcaemia, deterioration of bone and tooth structure and kidney and liver damage. NTP:No IARC:No OSHA:No SECTION 4: First Aid Measures Immediately flush the eyes with copious amounts of water for at least 10-15 minutes. A victim may need Eye Exposure: assistance in keeping their eye lids open. Get immediate medical attention. Wash the affected area with water. Remove contaminated clothes if necessary. Seek medical assistance if Skin Exposure: irritation persists. Remove the victim to fresh air. Closely monitor the victim for signs of respiratory problems, such as difficulty Inhalation: in breathing, coughing, wheezing, or pain. In such cases seek immediate medical assistance. Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious). Induce Ingestion: vomiting only if directed by medical personnel. SECTION 5: Fire Fighting Measures Flash Point:not applicable Autoignition Temperature:none Explosion Limits:none Extinguishing Medium:carbon dioxide, foam or dry powder If this product is involved in a fire, fire fighters should be equipped with a NIOSH approved positive pressure Special Fire Fighting Procedures: self- contained breathing apparatus and full protective clothing. Hazardous Combustion andIf involved in a fire this material may emit toxic organic fumes and vapors of phosphorus pentoxide. Decomposion Products: Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards. SECTION 6: Accidental Release Measures Small spills can be mixed with vermiculite, sodium carbonate or other suitable non combustible adsorbent and Spill and Leak Procedures: swept up. SECTION 7: Handling and Storage Keep material in a tightly sealed container. Prolonged exposure to the air will result in degradation of the Handling and Storage: product. Handle and store material under an inert atmosphere of nitrogen or argon. SECTION 8: Exposure Controls and Personal Protection Eye Protection:Always wear approved safety glasses when handling a chemical substance in the laboratory. Skin Protection:Wear protective clothing and gloves. Ventilation:Material may form a fine dust. If possible, handle the material in an efficient fume hood. If ventilation is not available a respirator should be worn. The use of respirators requires a Respirator Respirator: Protection Program to be in compliance with 29 CFR 1910.134. Ventilation:Material may form a fine dust. If possible, handle the material in an efficient fume hood. Additional Protection:No additional protection required. SECTION 9: Physical and Chemical Properties Color and Form:orange pwdr. Molecular Weight:910.57 Melting Point:no data Boiling Point:no data Vapor Pressure:no data Specific Gravity:no data Odor:none Solubility in Water:Insoluble SECTION 10: Stability and Reactivity Stability:air and moisture stable Hazardous Polymerization:no hazardous polymerization Conditions to Avoid:exposure to oxygen, contact with strong oxidizing agents Incompatibility:Oxidizing agents and halogens Decomposition Products:carbon dioxide, carbon monoxide, organic fumes, phosphorus oxides, fluoroorganics, and iron oxide. SECTION 11: Toxicological Information RTECS Data:No information available in the RTECS files. Carcinogenic Effects:No data Mutagenic Effects:No data Tetratogenic Effects:No data SECTION 12: Ecological Information Ecological Information:No information available SECTION 13: Disposal Considerations Disposal:Dispose of according to local, state and federal regulations. SECTION 14: Transportation Shipping Name (CFR):Non-hazardous Hazard Class (CFR):NA Additional Hazard Class (CFR):NA Packaging Group (CFR):NA UN ID Number (CFR):NA Shipping Name (IATA):Non-hazardous Hazard Class (IATA):NA Additional Hazard Class (IATA):NA Packaging Group (IATA):NA UN ID Number (IATA):NA SECTION 15: Regulatory Information TSCA:Not listed in the TSCA inventory. SARA (Title 313):Title compound not listed. Second Ingredient:None SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 个人防护装备: Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
• 危害码 (欧洲): Xi
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S26
• 危险品运输编码: NONH for all modes of transport
• WGK德国: 3