22401-25-8

• 常用中文名：四乙基丙烯-1,3-二膦酸酯
• 常用英文名：Tetraethyl 1,3-propanediylbis(phosphonate)
• CAS号：22401-25-8
• 分子式：C₁₁H₂₆O₆P₂
• 分子量：316.268
• 发布时间：2018-05-06 08:00:00
• 更新时间：2024-01-02 13:39:31

名称

• 中文名: 四乙基丙烯-1,3-二膦酸酯
• 英文名: 1,3-bis(diethoxyphosphoryl)propane
• 中文别名: 1,3-丙二膦酸四乙基酯
• 英文别名: Tetraethyl 1,3-propanediylbis(phosphonate); Propandiyl-bis-phosphonsaeure-tetraaethylester; Tetraethyl propane-1,3-diylbis(phosphonate); 1,3-Bis-diaethoxyphosphoryl-propan; Propandiyldiphosphonsaeure-tetraaethylester; tetraethyltrimethylenediphosphonate; Phosphonic acid, 1,3-propanediylbis-, tetraethyl ester; Phosphonic acid,trimethylenedi-,tetraethyl ester; propanediyl-bis-phosphonic acid tetraethyl ester; Phosphonic acid,1,3-propanediylbis-,tetraethyl ester; MFCD00048543; Phosphonic acid, P,P'-1,3-propanediylbis-, tetraethyl ester; tetraethylpropylene-1,3-diphosphonate

物化性质

• 密度: 1.1±0.1 g/cm3
• 沸点: 400.9±28.0 °C at 760 mmHg
• 分子式: C₁₁H₂₆O₆P₂
• 分子量: 316.268
• 闪点: 209.7±44.3 °C
• 精确质量: 316.120453
• PSA: 90.68000
• LogP: 0.88
• 蒸汽压: 0.0±0.9 mmHg at 25°C
• 折射率: 1.433
• 储存条件:

  密闭于阴凉干燥环境中

• 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：73.73

  2、 摩尔体积（m³/mol）：283.8

  3、 等张比容（90.2K）：692.6

  4、 表面张力（dyne/cm）：35.4

  5、 极化率（10 ^-24cm ³）：29.23

• 计算化学:

  1.疏水参数计算参考值（XlogP）:0.5

  2.氢键供体数量:0

  3.氢键受体数量:6

  4.可旋转化学键数量:12

  5.互变异构体数量:无

  6.拓扑分子极性表面积71.1

  7.重原子数量:19

  8.表面电荷:0

  9.复杂度:270

  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）：无可用

  5. 沸点（ºC,常压）：206-227/5 mmHg

  6. 沸点（ºC,5.2kPa）：无可用

  7. 折射率：1.445-1.447

  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

Name: Tetraethylpropylene-1 3-diphosphonate 97% Material Safety Data Sheet Synonym: CAS: 22401-25-8 Section 1 - Chemical Product MSDS Name:Tetraethylpropylene-1 3-diphosphonate 97% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 22401-25-8 Tetraethylpropylene-1,3-diphosphonate 97% unlisted Hazard Symbols: None Listed. Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Not available. 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: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable 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. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 22401-25-8: 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: Viscous liquid Color: Clear Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 206 - 227 deg C @ 5 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: Specific Gravity/Density: Molecular Formula: C11H26O6P2 Molecular Weight: 316.126 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, oxides of phosphorus, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 22401-25-8 unlisted. LD50/LC50: Not available. Carcinogenicity: Tetraethylpropylene-1,3-diphosphonate - 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 No information available. IMO No information available. 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# 22401-25-8: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 22401-25-8 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 22401-25-8 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 该物质对环境可能有危害，对水体应给予特别注意。

安全

• 安全声明 (欧洲): S24/25
• 海关编码: 2915900090

合成路线

109-64-8 122-52-1 ~91% 22401-25-8

文献：Griffith, Julie A.; McCauley, David J.; Barrans Jr., Richard E.; Herlinger, Albert W. Synthetic Communications, 1998 , vol. 28, # 23 p. 4317 - 4323

2303-76-6 109-64-8 ~% 22401-25-8

文献：Monatshefte fuer Chemie, , vol. 81, p. 202,206

78-40-0 109-64-8 ~% 22401-25-8

文献：Inorganic Chemistry, , vol. 52, # 15 p. 8288 - 8290

109-64-8 122-52-1 ~% 1186-10-3 22401-25-8

文献：Journal of the American Chemical Society, , vol. 66, p. 1511

1186-10-3 122-52-1 ~% 22401-25-8

文献：Bioorganic and Medicinal Chemistry Letters, , vol. 21, # 18 p. 5403 - 5407

海关

海关编码	2915900090
中文概述	2915900090. 其他饱和无环一元羧酸及其酸酐（酰卤、过氧）化物、过氧酸及其卤化、硝化、磺化、亚硝化衍生物. 增值税率:17.0%. 退税率:9.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 最惠国关税:5.5%. 普通关税:30.0%
申报要素	品名, 成分含量, 用途
监管条件	A.入境货物通关单 B.出境货物通关单
检验检疫	R.进口食品卫生监督检验 S.出口食品卫生监督检验 M.进口商品检验 N.出口商品检验
Summary	2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%