二乙基磷酰乙基三乙氧基硅烷 | 757-44-8

• 物质功能分类: 化学试剂 - 有机试剂 - 硅氧烷
• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 中文名称: 二乙基磷酰乙基三乙氧基硅烷
• 中文别名: (2-二乙基磷酰乙基)三乙氧基硅烷
• 英文名称: (diethylphosphatoethyl)triethoxysilane
• 英文别名: Phosphonic acid, [2-(triethoxysilyl)ethyl]-, diethyl ester；2-diethoxyphosphorylethyl(triethoxy)silane
• CAS: 757-44-8
• 化学式: C₁₂H₂₉O₆PSi
• 分子量: 328.418
• InChiKey: RGAHQVPQZZNNOV-UHFFFAOYSA-N

物化性质

• 熔点：
  <0°C
• 沸点：
  141 °C (2 mmHg)
• 密度：
  1.031
• 闪点：
  70°C
• 稳定性/保质期：
  在常温常压下保持稳定，应避免与不相容的材料接触。

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  20
• 可旋转键数：
  13
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  63.2
• 氢给体数：
  0
• 氢受体数：
  6

安全信息

• TSCA：
  Yes
• 危险品标志：
  Xi
• 安全说明：
  S26,S37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  29319090
• 危险性防范说明：
  P261,P264,P271,P280,P302+P352,P304+P340+P312,P305+P351+P338,P332+P313,P337+P313,P362,P403+P233,P405,P501
• 危险性描述：
  H315,H319,H335
• 储存条件：
  密封存储，应存放在阴凉干燥的仓库中。

SDS

Name:	Diethylphosphatoethyltriethoxysilane Material Safety Data Sheet
Synonym:
CAS:	757-44-8

Section 1 - Chemical Product MSDS Name:Diethylphosphatoethyltriethoxysilane Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
757-44-8	Diethylphosphatoethyltriethoxysilane		212-056-5

Hazard Symbols: XI
Risk Phrases: 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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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. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

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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.

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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.

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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.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 757-44-8: 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.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Clear liquid
Color: colorless to yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 141 deg C @2mmHg
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: Soluble.
Specific Gravity/Density: 1.031
Molecular Formula: C12H29O6PSi
Molecular Weight: 328.42

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures. Material generates ethanol on contact with water.
Conditions to Avoid:
Ignition sources, moisture, excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong acids, water.
Hazardous Decomposition Products:
Carbon monoxide, oxides of phosphorus, carbon dioxide, ethanol.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 757-44-8: TA0997000 LD50/LC50:
CAS# 757-44-8: Oral, rat: LD50 = 17200 uL/kg; Skin, rabbit: LD50 = >16 mL/kg.
Carcinogenicity:
Diethylphosphatoethyltriethoxysilane - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 757-44-8: No information available.
Canada
CAS# 757-44-8 is listed on Canada's NDSL List.
CAS# 757-44-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 757-44-8 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  二乙基磷酰乙基三乙氧基硅烷 在 盐酸 作用下， 以 乙醇 为溶剂， 生成 diethoxyphosphorylethyltrihydroxysilane
  参考文献：
  名称：

  Synthesis and properties of phosphonic acid-grafted hybrid inorganic–organic polymer membranes

  摘要：

  采用溶胶法合成了一类膦酸接枝杂化无机聚合物膜。研究了这些膜的热稳定性、吸水性和质子传导性。TGAâDSC 分析表明，这些膜在干燥空气中的热稳定性至少可达 220 °C。新膜的质子传导率随âPO3H2基团含量和相对湿度的增加而增加，在100 °C、相对湿度为¼100%的条件下达到6.2 à 10â2 S cmâ1，与类似条件下的Nafion®膜相当。这些新膜在低相对湿度条件下具有高质子传导性，因此在高温、低湿度PEM燃料电池和其他电化学应用中用作电解质具有巨大潜力。由于CF2âPO3H2基团具有较大的电子吸收效应，因此用âCF2âPO3H2基团取代âCH2âPO3H2基团可提高膜在无水状态下的质子传导性。不过，研究发现，âPO3H2 基团的浓度和新膜的分子结构是质子在加湿环境中传输过程的关键因素。

  DOI：

  10.1039/b512389e
• 作为产物：
  描述：

  乙烯基三乙氧基硅烷 、 亚磷酸二乙酯 在 偶氮二异丁腈 作用下， 反应 1.0h， 以38%的产率得到二乙基磷酰乙基三乙氧基硅烷
  参考文献：
  名称：

  Intramolecular O → Si donor-acceptor interaction in R2P(=O)CH2CH2SiF3 molecules: Synthesis of dialkyl [2-(trifluorosilyl)ethyl]phosphonate and bis[(chloromethyl)dimethylsilyl] styrylphosphonate

  摘要：

  The reaction of diethyl [2-(triethoxysilyl)ethyl]phosphonate with boron trifluoride etherate was used to synthesize diethyl [2-(trifluorosilyl)ethyl]phosphonate. The reaction of bis(trimethylsilyl) styrylphosphonate with chloro(chloromethyl)dimethylsilane gave bis [(chloromethyl)dimethylsilyl] styrylphosphonate. Multinuclear H-1, C-13, F-19, Si-29, and P-31 N MR spectroscopy established the absence of a O -> Si coordination bond in these compounds and the four-coordinate state of the silicon atom. Evidence for this finding was obtained by B3LYP/6-31G(d) quantum-chemical calculations. However, the same calculations for R2P(=O)center dot CH2CH2SiF3 (R = Me, Me2N) showed the presence in such molecules of an O -> Si coordination bond both in the gas phase and in CHO solution. The distance between the O and Si atoms in this series molecules decreases with R in the order: MeO > Me > MeN. The axial Si-F bond length increases in the same order and parallels the order of the Hammet sigma(0)(m) constants of these substituents, relating to their interaction with pi-electron systems.

  DOI：

  10.1134/s1070363206100082
• 作为试剂：
  描述：

  tantalum pentaethoxide 在 2-[methoxy(poly-ethylenoxy)propyl]trimethoxysilane 、 二乙基磷酰乙基三乙氧基硅烷 、 盐酸 、 氨 作用下， 以 丙醇 、 重水 、 异丁酸 、 水 为溶剂， 反应 19.5h， 生成 tantalum(V) oxide
  参考文献：
  名称：

  WO2008/92059

  摘要：

  公开号：

文献信息

• Practical and scalable synthesis of bench-stable organofluorosilicate salts
  作者：Jarett M. Posz、Stephan R. Harruff、Ryan Van Hoveln

  DOI：10.1039/d0cc05400c

  日期：——

  organo- or alkoxysilanes. Herein, we report the first practical synthesis of organotetrafluorosilicates. The method is tolerant of a number of different functional groups including electrophiles with preferential attack of the fluoride on the silane rather than the electrophile. This transformaton is generally high yielding, even at the mole scale. Furthermore, we demonstrate that organotetrafluorosilicates

  在过去的几十年中，硅烷作为合成工具已经取得了巨大的成功。在许多使用硅烷的反应中，提出了五配位硅酸盐作为反应性中间体。尽管如此，还没有通用的方法来合成五配位的氟硅酸盐并将其用作试剂来代替有机或烷氧基硅烷。在此，我们报道了有机四氟硅酸盐的首次实用合成。该方法耐受包括亲电子体在内的许多不同的官能团，其中氟化物优先攻击硅烷而不是亲电子体。即使在摩尔规模下，这种转化也通常是高产率的。此外，我们证明有机四氟硅酸盐比相应的三烷氧基硅烷更具反应性，并且在溶剂分解条件下更稳定。有机四氟硅酸盐可用作各种偶联反应，氧化和自由基反应的底物。总体而言，有机四氟硅酸盐代表了一个新的平台，可在此平台上进行具有挑战性的转型。
• PHOSPHORUS-CONTAINING SILSESQUIOXANE DERIVATIVES AS FLAME RETARDANTS
  申请人：Lim Lisa S.

  公开号：US20100113659A1

  公开（公告）日：2010-05-06

  A phosphorus-containing silsesquioxane is represented by the formula [R 1 3 SiO 1/2 ] m [R 2 SiO 3/2 ] n [R 3 SiO 3/2 ] p [(R 4 O) 2 PO(CH 2 ) x SiO 3/2 ] q wherein each of R 1 , R 2 , R 3 , and R 4 independently represents a hydrocarbyl group; x represents an integer of from 1 to 8; m is a positive number less than 1.5; n and q are positive numbers greater than 0 and less than 1; and p is a number greater than or equal to 0 and less than 1. Further, (n+p)/q is in a range of from 0.5 to 99, and (n+p+q)=1. Curable and cured compositions comprising the phosphorus-containing silsesquioxane are disclosed.

  一种含磷的硅氧烷的化学式为[R13SiO1/2]m[R2SiO3/2]n[R3SiO3/2]p[(R4O)2PO(CH2)xSiO3/2]q，其中R1、R2、R3和R4分别独立地表示烃基；x表示1到8的整数；m是小于1.5的正数；n和q是大于0且小于1的正数；p是大于或等于0且小于1的数字。此外，(n+p)/q的范围为0.5到99，且(n+p+q)=1。还公开了包含该含磷硅氧烷的可固化和已固化组合物。
• Organopolysiloxanes containing phosphonic groups, method for the production and use thereof
  申请人：——

  公开号：US20040077889A1

  公开（公告）日：2004-04-22

  The invention relates to new compounds of the formula, wherein R and R 1 are each independently hydrogen, a linear or branched C 1-40 alkyl, C 2-40 alkenyl or C 2-40 alkynyl group, an aryl or C 1-40 alkylaryl group or an optionally complex metal ion M n+ /n wherein n is an integer from 1 to 8; the free valences of the silicate oxygen atoms are saturated by one or more of: silicon atoms of other groups of the formula, hydrogen, a linear or branched C 1-12 alkyl group or by cross-linking bridge members R 3 q M 1 (OR 2 ) m O k/2 or Al(OR 2 ) 3-p O p/2 or R 3 Al(OR 2 ) 2-r O r/2 ; where M 1 is Si or Ti; R 2 is linear or branched C 1-12 alkyl group; and R 3 is a linear or branched C 1-6 alkyl group; k is an integer from 1 to 4 and q and m are integers from 0 to 2; such that m+k+q=4; and p is an integer from 1 to 3; and r is an integer from 1 to 2; or other known oxo metal bridging systems; x, y and z are integers such that the radio of x:y+z, varies from 0.00001 to 100,000 with the fragments [O 3/2 SiCH(CH 2 PO(OR)(OR 1 ))CH 2 CH 2 SiO 3/2 ] X and [O 3/2 SiCH 2 CH 2 PO(OR)(OR 1 )] Y always present whilst the integer z varies from 0 to 200y. The compounds are useful as catalysts for a wide variety of reactions and have the advantages that they can be prepared in a one-pot reaction and have functional group losding can be tailored to be at a required level. In addition, the compounds have high chemical and thermal stability, fixed and rigid structures, are insoluble in organic solvents, high resistance to ageing, and can easily be purified and reused. 1

  本发明涉及一种新化合物的公式，其中R和R1分别独立地为氢、线性或支链C1-40烷基、C2-40烯基或C2-40炔基、芳基或C1-40烷基芳基或可选的复合金属离子Mn+/n（其中n是1到8的整数）；硅酸盐氧原子的自由价通过下列一种或多种进行饱和：公式中其他组的硅原子、氢、线性或支链C1-12烷基或交联桥连接成员R3qM1(OR2)mOk/2或Al(OR2)3-pOp/2或R3Al(OR2)2-rOr/2（其中M1为Si或Ti；R2是线性或支链C1-12烷基；R3是线性或支链C1-6烷基；k是1到4的整数，q和m是0到2的整数，使得m+k+q=4；p是1到3的整数；r是1到2的整数；或其他已知的氧化金属桥接系统）；x、y和z是整数，使得x:y+z的比例从0.00001到100,000不等，其中碎片[O3/2SiCH(CH2PO(OR)(OR1))CH2CH2SiO3/2]X和[O3/2SiCH2CH2PO(OR)(OR1)]Y始终存在，而整数z从0到200y变化。这些化合物可用作各种反应的催化剂，并具有以下优点：它们可以在一锅反应中制备，并且功能组载荷可以定制为所需水平。此外，这些化合物具有高化学和热稳定性、固定和刚性结构、不溶于有机溶剂、高耐老化性，并且可以轻松地纯化和重复使用。
• Synthesis of compounds containing phosphorus and silicon
  作者：E. F. Bugerenko、E. A. Chernyshev、A. D. Petrov

  DOI：10.1007/bf00845591

  日期：1965.2
• Synthesis and Hydrolytic Stability of Some Organosilicon Phosphonate Esters
  作者：GARRETT H. BARNES、MARY P. DAVID

  DOI：10.1021/jo01077a030

  日期：1960.7