185913-97-7

• 常用中文名：(R)-(+)-5,5'''-二氯-6,6'-二甲氧基-2,2'-双(二苯基膦)-1,1'-联苯 (R)-Cl-MeO-BIPHEP
• 常用英文名：(R)-(5,5'-Dichloro-6,6'-dimethoxy-[1,1'-biphenyl]-2,2'-diyl)bis(diphenylphosphine)
• CAS号：185913-97-7
• 分子式：C₃₈H₃₀Cl₂O₂P₂
• 分子量：651.49700
• 发布时间：2018-12-14 19:01:34
• 更新时间：2024-01-05 14:09:39

名称

• 中文名: (R)-(+)-5,5-二氯-6,6-二甲氧基-2,2-双(二苯基磷酸)-1,1-联苯基
• 英文名: (r)-(+)-5,5'-dichloro-6,6'-dimethoxy-2,2'-bis(diphenylphosphino)-1,1'-biphenyl
• 英文别名: Cl-MeO-BIPHEP; (R)-CL-MEO-BIPHEP; MeO-Cl-PHEP; (-)-2,2'-BIS(DIPHENYLPHOSPHINO)-5,5'-DICHLORO-6,6'-DIMETHOXY-1,1'-BIPHENYL; (5,5'-dichloro-6,6'-dimethoxybiphenyl-2,2'-diyl)-bisdiphenylphosphine; MFCD03426987; (S)-(-)-5,5'-DICHLORO-6,6'-DIMETHOXY-2,2'-BIS(DIPHENYLPHOSPHINO)-1,1'-BIPHENYL; (-)-5,5'-DICHLORO-2,2'-BIS(DIPHENYLPHOSPHINO)-6,6'-DIMETHOXY-1,1'-BIPHENYL; (+)-5,5'-DICHLORO-2,2'-BIS(DIPHE.PHOS)6,6'-DIMETHOXYBIPHENYL; [(R)-(+)-5,5'-dichloro-6,6'-dimethoxy[1,1'-biphenyl]-2,2'-diyl]-bis-diphenylphosphine; (S)-CL-MEO-BIPHEP; min.(r)-cl-meo-biphep

物化性质

• 沸点: 678.2±55.0 ℃(Predicted)
• 熔点: 176-180ºC
• 分子式: C₃₈H₃₀Cl₂O₂P₂
• 分子量: 651.49700
• 精确质量: 650.11000
• PSA: 45.64000
• LogP: 8.19400
• 外观性状: 白色结晶
• 储存条件:

  密封于阴凉干燥环境中

• 稳定性:

  遵照规定使用和储存则不会分解。

• 分子结构:

  1、摩尔折射率：无可用

  2、 摩尔体积（cm³/mol）：无可用

  3、 等张比容（90.2K）：无可用

  4、 表面张力（dyne/cm）：无可用

  5、 极化率：无可用

• 计算化学:

  1.疏水参数计算参考值（XlogP）:10.1

  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:9

  5.互变异构体数量:无

  6.拓扑分子极性表面积18.5

  7.重原子数量:44

  8.表面电荷:0

  9.复杂度:735

  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：无可用

  2. 密度（g/mL,25/4℃）：无可用

  3. 相对蒸汽密度（g/mL,空气=1）：无可用

  4. 熔点（ºC）：176-180

  5. 沸点（ºC,常压）：无可用

  6. 沸点（ºC,5.2kPa）：无可用

  7. 折射率：无可用

  8. 闪点（ºC）：无可用

  9. 比旋光度（º）：无可用

  10. 自燃点或引燃温度（ºC）：无可用

  11. 蒸气压（kPa,25ºC）：无可用

  12. 饱和蒸气压（kPa,60ºC）：无可用

  13. 燃烧热（KJ/mol）：无可用

  14. 临界温度（ºC）：无可用

  15. 临界压力（KPa）：无可用

  16. 油水（辛醇/水）分配系数的对数值：无可用

  17. 爆炸上限（%,V/V）：无可用

  18. 爆炸下限（%,V/V）：无可用

  19. 溶解性：无可用

MSDS

Section 1: Product Identification (R)-(+)-5,5'-Dichloro-6,6'-dimethoxy-2,2'-bis(diphenylphosphino)-1,1'-biphenyl, min. 95% (R)-Cl-MeO-BIPHEP Chemical Name: CAS Registry Number:185913-97-7 Formula:C38H30Cl2O2P2 EINECS Number:none Chemical Family:organophosphine ligand Synonym:(R)-Cl-MeO-BIPHEP Section 2: Composition and Information on Ingredients IngredientCAS NumberPercentACGIH (TWA)OSHA (PEL) Title Compound185913-97-7100%no datano data Section 3: Hazards Identification Emergency Overview:Irritating to skin, eyes, and 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:Irritating to the nose, mucous membranes and respiratory tract. Ingestion:May be harmful if swallowed. No specific information is available on the physiological effects of ingestion. Acute Health Affects:Irritating to skin, eyes and respiratory tract. Chronic Health Affects:No information available on long-term chronic effects. 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:none Autoignition Temperature:none Explosion Limits:none Extinguishing Medium:carbon dioxide, dry powder or foam Fire fighters should be equipped with a NIOSH approved positive pressure self-contained breathing apparatus Special Fire Fighting Procedures: 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 Spill and Leak Procedures:Small spills can be mixed with vermiculite or sodium carbonate and swept up. SECTION 7: Handling and Storage Handling and Storage:Store in a cool, dry place in a tightly sealed container. 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. Consult with glove manufacturer to determine the proper type of glove. Ventilation: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: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:yellow-white powder Molecular Weight:651.5 Melting Point:178° Boiling Point:no data Vapor Pressure:not applicable 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:none Incompatibility:oxidizing agents Decomposition Products:carbon dioxide, carbon monoxide, phosphorus pentoxide, and organic fumes. 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 federal, state, and local 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

毒性和生态

生态学数据: 通常对水是不危害的，若无政府许可，勿将材料排入周围环境。

安全

• 危害码 (欧洲): Xi
• 安全声明 (欧洲): S24/25

合成路线

185836-54-8 ~90% 185913-97-7

文献：Pohl, Torsten; Prinz, Thomas; Giffels, Guido; Sirges, Wolfram Patent: US2002/58814 A1, 2002 ;