四乙基丙烯-1,3-二膦酸酯

四乙基丙烯-1,3-二膦酸酯 基本信息
CAS号 22401-25-8 分子式 C11H26O6P2
分子量 316.26800 精确质量 　316.12000
PSA 　90.68000 LogP 　3.90870
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目录
基本信息 物化性质 安全信息 合成路线 毒性 MSDS 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
22401-25-8
3D弹球模型：
立即前往扯扯看
分子式：
C11H26O6P2
分子量：
316.26800
中文名称：
四乙基丙烯-1,3-二膦酸酯
英文名称：
1,3-bis(diethoxyphosphoryl)propane
中文别名：
四乙基丙烯-1,3-二膦酸酯;
1,3-丙二膦酸四乙基酯
英文别名：
1,3-bis(diethoxyphosphoryl)propane;
Phosphonic acid,1,3-propanediylbis-,tetraethyl ester;
1,3-Bis-diaethoxyphosphoryl-propan;
propanediyl-bis-phosphonic acid tetraethyl ester;
Propandiyl-bis-phosphonsaeure-tetraaethylester;
tetraethylpropylene-1,3-diphosphonate;
Phosphonic acid,trimethylenedi-,tetraethyl ester;
Tetraethylpropylene-1,3-diphosphonate;
Propandiyldiphosphonsaeure-tetraaethylester;
tetraethyltrimethylenediphosphonate
精确分子量/精确质量：
316.12000
极性分子表面积/PSA：
90.68000
油水分配系数/LogP：

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
贝尔斯坦号/MDL：
MFCD00048543
InChI：
The Key: LJQJJGQRJQSYQN-UHFFFAOYSA-N

物化性质展开↓

密度：
1.114g/cm3
沸点：
206-227ºC (5 mmHg)
闪点：
209.7ºC
折射率：
1.445-1.447
蒸汽压：
2.85E-06mmHg at 25°C
存储条件/存储方法：

 

 密闭于阴凉干燥环境中

稳定性相关：

 

遵照规定使用和储存则不会分解。

其它信息：

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

安全信息展开↓

海关代码：
2915900090
安全说明：
S24/25
安全标志：
S24/25:防止皮肤和眼睛接触。

合成路线查看所有的合成路线

  • 109-64-8

    1,3-二溴丙烷

  • +

  • 122-52-1

    亚磷酸三乙酯

  • →

    ~91%

  • 22401-25-8

    四乙基丙烯-1,3-二膦酸酯

  • 1186-10-3

    二乙基(3-溴丙基)膦酸酯

  • +

  • 122-52-1

    亚磷酸三乙酯

  • →

  • 22401-25-8

    四乙基丙烯-1,3-二膦酸酯

  • 109-64-8

    1,3-二溴丙烷

  • +

  • 122-52-1

    亚磷酸三乙酯

  • →

  • 1186-10-3

    二乙基(3-溴丙基)膦酸酯

  • +

  • 22401-25-8

    四乙基丙烯-1,3-二膦酸酯

毒理性展开↓

生态数据：

 

该物质对环境可能有危害，对水体应给予特别注意。

MSDS 展开↓

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

海关数据查看详细

中国海关编码：2915900090

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
摘要/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%

分子结构与计算化学数据展开↓

分子结构数据

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（10-24cm3）：29.23

计算化学数据

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

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