147253-67-6

• 常用中文名：(-)-1,2-双[(2R,5R)-2,5-二甲基磷]苯
• 常用英文名：(-)-1,2-BIS[(2R,5R)-2,5-DIMETHYLPHOSPHOLANO]BENZENE
• CAS号：147253-67-6
• 分子式：C₁₈H₂₈P₂
• 分子量：306.36200
• 发布时间：2018-12-28 07:14:06
• 更新时间：2024-01-06 18:03:51
• 呫吨染料

名称

• 中文名: (-)-1,2-双[(2R,5R)-2,5-二甲基磷]苯
• 英文名: (-)-1,2-Bis[(2R,5R)-2,5-dimethylphospholano]benzene
• 英文别名: MFCD00142336; 1,2-Bis[(2R,5R)-2,5-dimethyl-1-phospholanyl]benzene; (2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane; (R,R)-MeDuPHOS; (R,R)-Methyl-DuPhos

物化性质

• 沸点: 415ºC at 760 mmHg
• 熔点: 66-76ºC
• 分子式: C₁₈H₂₈P₂
• 分子量: 306.36200
• 闪点: 216.3ºC
• 精确质量: 306.16700
• PSA: 27.18000
• LogP: 5.04260
• 蒸汽压: 1.03E-06mmHg at 25°C
• 储存条件: 室温，干燥
• 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：306.166623 Da

  8、标称质量：306 Da

  9、平均质量：306.3624 Da

• 计算化学:

  1.疏水参数计算参考值（XlogP）:3.8

  2.氢键供体数量:0

  3.氢键受体数量:0

  4.可旋转化学键数量:2

  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:20

  8.表面电荷:0

  9.复杂度:277

  10.同位素原子数量:0

  11.确定原子立构中心数量:4

  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：未确定

  2. 密度（g/mL, 20 ℃ ）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：66-76

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC 3mmHg）：未确定

  7. 折射率：未确定

  8. 闪点（ºF）：未确定

  9. 比旋光度（º）：未确定

  10. 自燃点或引燃温度（ºC）：不适用的

  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: (-)-1 2-Bis((2R 5R)-2 5-dimethylphospholano)benzene Material Safety Data Sheet Synonym: (R,R)-Me-DUPHO CAS: 147253-67-6 Section 1 - Chemical Product MSDS Name:(-)-1 2-Bis((2R 5R)-2 5-dimethylphospholano)benzene Material Safety Data Sheet Synonym:(R,R)-Me-DUPHO Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 147253-67-6 (-)-1,2-Bis((2R,5R)-2,5-dimethylphosph unlisted Hazard Symbols: None Listed. Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Air sensitive.Moisture sensitive. 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: Not available. 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. Ingestion: Get medical aid. Wash mouth out with water. Inhalation: Remove from exposure and move to fresh air immediately. 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. 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: Vacuum or sweep up material and place into a suitable disposal container. Section 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Storage: Store in a cool, dry place. Store in a tightly closed container. Store under nitrogen. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 147253-67-6: Personal Protective Equipment Eyes: Not available. 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: Crystals Color: white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: Not available. 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: C18H28P2 Molecular Weight: 306.37 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, exposure to air, exposure to moist air or water. Incompatibilities with Other Materials: Oxidizing agents, halogens. Hazardous Decomposition Products: Carbon monoxide, oxides of phosphorus, carbon dioxide. Hazardous Polymerization: Will not occur. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 147253-67-6 unlisted. LD50/LC50: Not available. Carcinogenicity: (-)-1,2-Bis((2R,5R)-2,5-dimethylphospholano)benzene - 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 No information available. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 147253-67-6: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 147253-67-6 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 147253-67-6 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 个人防护装备: Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
• 安全声明 (欧洲): S22-S24/25
• 危险品运输编码: NONH for all modes of transport

合成路线

1380079-15-1 ~95% 147253-67-6

文献：Li, Yuehui; Das, Shoubhik; Zhou, Shaolin; Junge, Kathrin; Beller, Matthias Journal of the American Chemical Society, 2012 , vol. 134, # 23 p. 9727 - 9732

17299-07-9 ~% 147253-67-6

文献：Journal of the American Chemical Society, , vol. 115, # 22 p. 10125 - 10138

80510-04-9 136779-29-8 ~% 147253-67-6

文献：Journal of the American Chemical Society, , vol. 113, # 22 p. 8518 - 8519