121954-50-5

• 常用中文名：1,2-双(二叔丁基膦甲基)苯
• 常用英文名：1,2-Bis(di-tert-butyl phosphinomethyl)benzene
• CAS号：121954-50-5
• 分子式：C₂₄H₄₄P₂
• 分子量：394.554
• 相关类别： 有机原料 有机膦化合物
• 发布时间：2018-04-03 08:00:00
• 更新时间：2024-01-03 05:18:26
• 下载msds

名称

• 中文名: 1,2-双(二叔丁基膦甲基)苯
• 英文名: ditert-butyl-[[2-(ditert-butylphosphanylmethyl)phenyl]methyl]phosphane
• 中文别名: Alpha,Alpha-双(二叔丁基磷氢基)-邻二甲苯
• 英文别名: [1,2-Phenylenebis(methylene)]bis[bis(2-methyl-2-propanyl)phosphine]; 1,2-bis(ditertbutylphosphinomethyl)benzene; MFCD03094573; Phosphine, 1,1'-[1,2-phenylenebis(methylene)]bis[1,1-bis(1,1-dimethylethyl)-; 1,2-Bis(di-tert-butyl phosphinomethyl)benzene

物化性质

• 沸点: 456.7±38.0 °C at 760 mmHg
• 熔点: 59-62ºC
• 分子式: C₂₄H₄₄P₂
• 分子量: 394.554
• 闪点: 243.6±33.1 °C
• 精确质量: 394.291809
• PSA: 27.18000
• LogP: 8.05
• 外观性状: crystal | white
• 蒸汽压: 0.0±1.1 mmHg at 25°C
• 储存条件:

  保持贮藏器密封、储存在阴凉、干燥的地方，确保工作间有良好的通风或排气装置

• 稳定性:

  如果遵照规格使用和储存则不会分解，未有已知危险反应

• 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：394.291823 Da

  8、标称质量：394 Da

  9、平均质量：394.5537 Da

• 计算化学:

  1.疏水参数计算参考值（XlogP）:4.9

  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:8

  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:26

  8.表面电荷:0

  9.复杂度:355

  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：固体

  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）：59-62

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,KPa）：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（Pa,20ºC）：未确定

  12. 饱和蒸气压（KPa,20ºC）：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

Section 1: Product Identification Chemical Name:alpha,alpha'-Bis(di-t-butylphosphino)-o-xylene, min. 97% CAS Registry Number:121954-50-5 Formula:C6H4[CH2P(C4H9)2]2 EINECS Number:none Chemical Family:organophosphine ligand Synonym:1,2-Bis(di-t-butylphosphinomethyl)benzene Section 2: Composition and Information on Ingredients IngredientCAS NumberPercentACGIH (TWA)OSHA (PEL) Title compound121954-50-5100%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, inhalation 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:No specific information is available on the physiological effects of ingestion. May be harmful if swallowed. Acute Health Affects:Irritating to skin, eyes and respiratory tract. Chronic Health Affects:No information available on the effects of long-term exposure. 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:no data Autoignition Temperature:none Explosion Limits:none Extinguishing Medium:carbon dioxide, dry powder or foam If this material 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. Decomposion Products: Unusual Fire or Explosion Hazards: Flammable solid. 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:Material will degrade on exposure to air. Handle and store 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:white xtl. Molecular Weight:394.56 Melting Point:59-62° Boiling Point:no data Vapor Pressure:no data Specific Gravity:no data Odor:no data Solubility in Water:no data SECTION 10: Stability and Reactivity Stability:air-sensitive solid Hazardous Polymerization:none Conditions to Avoid:none Incompatibility:oxidizing agents, halogens Decomposition Products:carbon dioxide, carbon monoxide, organic fumes, and phosphorus oxides. SECTION 11: Toxicological Information RTECS Data:No information available in the RTECS files. Carcinogenic Effects:No data available Mutagenic Effects:No data available Tetratogenic Effects:No data available 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):Not reportable under SARA Title 313 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
• 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

合成路线

13716-10-4 78499-87-3 ~55% 121954-50-5

文献：Ineos Acrylics UK Limited Patent: US6335471 B1, 2002 ; Location in patent: Page column 4 ;

13716-10-4 39106-95-1 78499-87-3 ~22% 121954-50-5

文献：Ineos Acrylics UK Limited Patent: US6335471 B1, 2002 ; Location in patent: Page column 5 ;