三乙基(硅烷-d) | 1631-33-0

• 分子结构分类: 有机化合物 - 碳氢化合物衍生物
• 中文名称: 三乙基(硅烷-d)
• 中文别名: 三乙基(硅烷-D)
• 英文名称: Et3SiD
• 英文别名: Triethyl(silane-d)；deuterio(triethyl)silane
• CAS: 1631-33-0
• 化学式: C₆H₁₆Si
• 分子量: 117.271
• InChiKey: AQRLNPVMDITEJU-WHRKIXHSSA-N

物化性质

• 沸点：
  107 °C (lit.)
• 密度：
  0.737 g/mL at 25 °C (lit.)
• 闪点：
  25 °F
• 溶解度：
  氯仿（微溶）、乙酸乙酯（微溶）
• 稳定性/保质期：

  在常温常压下保持稳定

计算性质

• 辛醇/水分配系数(LogP)：
  2.27
• 重原子数：
  7
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

安全信息

• 危险品标志：
  Xn,F
• 危险类别码：
  R20/21/22,R36/38,R11
• 危险品运输编号：
  UN 1993 3/PG 2
• WGK Germany：
  1,3
• 安全说明：
  S16,S26,S36/37/39,S51
• 储存条件：
  常温、避光、存于通风干燥处。

SDS

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : Triethyl(silane-d)
REACH No. : A registration number is not available for this substance as the substance
or its uses are exempted from registration, the annual tonnage does not
require a registration or the registration is envisaged for a later
registration deadline.
CAS-No. : 1631-33-0
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

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SECTION 2: Hazards identification
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008
Acute toxicity, Oral (Category 4), H302
Acute toxicity, Inhalation (Category 4), H332
Acute toxicity, Dermal (Category 4), H312
Skin irritation (Category 2), H315
Eye irritation (Category 2), H319
For the full text of the H-Statements mentioned in this Section, see Section 16.
Classification according to EU Directives 67/548/EEC or 1999/45/EC
F, Xn Highly flammable, Harmful R11, R20/21/22, R36/38
For the full text of the R-phrases mentioned in this Section, see Section 16.
Label elements
Labelling according Regulation (EC) No 1272/2008
Pictogram
Signal word Warning
Hazard statement(s)
H302 Harmful if swallowed.
H312 Harmful in contact with skin.
H315 Causes skin irritation.
H319 Causes serious eye irritation.
H332 Harmful if inhaled.
Precautionary statement(s)
P280 Wear protective gloves/ protective clothing.
P305 + P351 + P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
Supplemental Hazard none
Statements
Other hazards - none

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SECTION 3: Composition/information on ingredients
Substances
Chemical characterization : Isotopically labeled
Synonyms : Deuterated triethylsilane
Formula : C6DH15Si
Molecular Weight : 117,28 g/mol
CAS-No. : 1631-33-0
Hazardous ingredients according to Regulation (EC) No 1272/2008
Component Classification Concentration
Triethyl(silane-d)
CAS-No. 1631-33-0 Acute Tox. 4; Skin Irrit. 2; Eye <= 100 %
Irrit. 2; H302 + H312 + H332,
H315, H319
For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

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SECTION 4: First aid measures
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Consult a physician.
In case of eye contact
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
Most important symptoms and effects, both acute and delayed
The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
section 11
Indication of any immediate medical attention and special treatment needed
no data available

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SECTION 5: Firefighting measures
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
no data available
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

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SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid breathing vapours, mist or gas. Ensure adequate ventilation.
For personal protection see section 8.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Soak up with inert absorbent material and dispose of as hazardous waste. Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.

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SECTION 7: Handling and storage
Precautions for safe handling
Avoid contact with skin and eyes. Avoid inhalation of vapour or mist.
For precautions see section 2.2.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Store under inert gas. hygroscopic
Specific end use(s)
A part from the uses mentioned in section 1.2 no other specific uses are stipulated

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SECTION 8: Exposure controls/personal protection
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
Personal protective equipment
Eye/face protection
Face shield and safety glasses Use equipment for eye protection tested and approved under
appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
Complete suit protecting against chemicals, The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator
with multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup
to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air
respirator. Use respirators and components tested and approved under appropriate government
standards such as NIOSH (US) or CEN (EU).
Control of environmental exposure
Do not let product enter drains.

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SECTION 9: Physical and chemical properties
Information on basic physical and chemical properties
a) Appearance Form: liquid
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing no data available
point
f) Initial boiling point and 107 °C at 1.013 hPa
boiling range
g) Flash point no data available
h) Evapouration rate no data available
i) Flammability (solid, gas) no data available
j) Upper/lower no data available
flammability or
explosive limits
k) Vapour pressure no data available
l) Vapour density no data available
m) Relative density 0,737 g/mL at 25 °C0,737 g/cm3 at 25 °C
n) Water solubility no data available
o) Partition coefficient: n- no data available
octanol/water
p) Auto-ignition no data available
temperature
q) Decomposition no data available
temperature
r) Viscosity no data available
s) Explosive properties no data available
t) Oxidizing properties no data available
Other safety information
no data available

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SECTION 10: Stability and reactivity
Reactivity
no data available
Chemical stability
Stable under recommended storage conditions.
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available
In the event of fire: see section 5

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SECTION 11: Toxicological information
Information on toxicological effects
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitisation
no data available
Germ cell mutagenicity
no data available
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Additional Information
RTECS: Not available
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.

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SECTION 12: Ecological information
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
PBT/vPvB assessment not available as chemical safety assessment not required/not conducted
Other adverse effects
no data available

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SECTION 13: Disposal considerations
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company.
Contaminated packaging
Dispose of as unused product.

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SECTION 14: Transport information
UN number
ADR/RID: 1993 IMDG: 1993 IATA: 1993
UN proper shipping name
ADR/RID: FLAMMABLE LIQUID, N.O.S. (Triethyl(silane-d))
IMDG: FLAMMABLE LIQUID, N.O.S. (Triethyl(silane-d))
IATA: Flammable liquid, n.o.s. (Triethyl(silane-d))
Transport hazard class(es)
ADR/RID: 3 IMDG: 3 IATA: 3
Packaging group
ADR/RID: II IMDG: II IATA: II
Environmental hazards
ADR/RID: no IMDG Marine pollutant: no IATA: no
Special precautions for user
no data available

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SECTION 15: Regulatory information
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
no data available
Chemical Safety Assessment
For this product a chemical safety assessment was not carried out

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SECTION 16: Other information
Full text of H-Statements referred to under sections 2 and 3.
Acute Tox. Acute toxicity
Eye Irrit. Eye irritation
H302 Harmful if swallowed.
H302 + H312 + Harmful if swallowed, in contact with skin or if inhaled
H332
H312 Harmful in contact with skin.
H315 Causes skin irritation.
Full text of R-phrases referred to under sections 2 and 3
R11 Highly flammable.
R20/21/22 Harmful by inhalation, in contact with skin and if swallowed.
R36/38 Irritating to eyes and skin.
Further information
Copyright 2013 Co. LLC. License granted to make unlimited paper copies for internal use
only.
The above information is believed to be correct but does not purport to be all inclusive and shall be
used only as a guide. The information in this document is based on the present state of our knowledge
and is applicable to the product with regard to appropriate safety precautions. It does not represent any
guarantee of the properties of the product. Corporation and its Affiliates shall not be held
liable for any damage resulting from handling or from contact with the above product. See
and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

反应信息

• 作为反应物：
  描述：

  三乙基(硅烷-d) 在 氘代氯仿 、 {Rh(H)[SiMe₂(o-C₆H₄SMe)](PPh₃)₂}[BAr^F₄] 作用下， 生成 三乙基氯硅烷
  参考文献：
  名称：

  叔硅烷对 Rh（iii）催化的烷基卤化物的无溶剂加氢脱卤†

  摘要：

  使用不饱和甲硅烷基-氢化物-Rh（III）配合物{Rh（H）[SiMe 2（o -C 6 H 4 SMe）] ，通过不同的叔硅烷有效催化还原CDCl 3和其他烷基卤，包括持久性有机污染物。完成了作为预催化剂的（PPh 3）2 } [BAr F 4 ]。反应以无溶剂的方式进行。由于实验证据，建议简化的催化循环用于CDCl 3的加氢脱卤。

  DOI：

  10.1039/c8dt03703e
• 作为产物：
  描述：

  乙氧基三乙基硅烷 在 Na 作用下， 以 not given 、 further solvent(s) 为溶剂， 生成 三乙基(硅烷-d)
  参考文献：
  名称：

  Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Si: MVol.C, 34, page 106 - 108

  摘要：

  DOI：
• 作为试剂：
  描述：

  苯乙炔 在 正丁基锂 、 dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer 、 三乙基(硅烷-d) 、 亚碘酰苯 、 三氟化硼乙醚 、 potassium acetate 、 copper diacetate 、 C₇₀H₄₄F₆MnN₂O₂⁽¹⁺⁾*F₆P^(1-) 作用下， 以 四氢呋喃 、 硝基甲烷 、 正己烷 、 二氯甲烷 、 1,2-二氯乙烷 为溶剂， 反应 6.17h， 生成
  参考文献：
  名称：

  无环体系中叔丙炔 C(sp3)–H 键的催化对映选择性羟基化：动力学拆分研究

  摘要：

  C(sp 3 )–H 键的直接位点选择性和对映选择性氧官能化形成具有一般范围、具有可预测选择性和制备有用产率的醇，代表了合成有机化学标准逻辑的范式转变。然而，对于用于对映体富集的叔醇合成的叔C-H键的酶促或非酶促不对称羟基化的了解非常缺乏。在这里，我们报道了无环体系中叔炔丙C-H键的实用锰催化对映差异化羟基化，以极其有效的化学和对映歧视的方式高效地产生了各种结构多样的对映体丰富的叔丙炔醇。其他特点包括使用 C-H 底物作为限制试剂、值得注意的官能团兼容性、出色的合成实用性和可扩展性。这些发现为开发具有挑战性的底物的金属催化不对称氧化提供了蓝图。

  DOI：

  10.1021/jacs.4c03610

文献信息

• Reversible Silylium Transfer between P‐H and Si‐H Donors
  作者：Roman G. Belli、Dimitrios A. Pantazis、Robert McDonald、Lisa Rosenberg

  DOI：10.1002/anie.202011372

  日期：2021.2

  The Mo=PR2 π* orbital in a Mo phosphenium complex acts as acceptor in a new PIII‐based Lewis superacid. This Lewis acid (LA) participates in electrophilic Si‐H abstraction from E3SiH to give a Mo‐bound secondary phosphine ligand, Mo‐PR2H. The resulting Et3Si+ ion remains associated with the Mo complex, stabilized by η1‐P‐H donation, yet undergoes rapid exchange with an η1‐Si‐H adduct of free silane in

  Mo en络合物中的Mo = PR 2π *轨道在新的基于P III的Lewis超酸中充当受体。此路易斯酸（LA）参与了电的SiH给E抽象3的SiH，得到的Mo-结合的二膦配体，沫-PR 2 H.将所得的Et 3的Si +与Mo络合物相关联的离子仍存在，η稳定1与η-P-H捐赠，但经历快速交换1溶液中游离硅烷的Si-H加合物。这两种加合物之间的平衡为评估这种新的LA在硅烷催化反应中的作用提供了机会：LA是充当催化剂还是引发剂？初步结果表明，相对于推定的涉及硅烷-硅烷加合物或“游离”甲硅烷基的循环，包括钼键合的膦-甲硅烷基加合物的循环在苯乙酮的催化硅氢加成反应中占主导地位。
• Stereoselective Hydrosilylation of Enals and Enones Catalysed by Palladium Nanoparticles
  作者：Meryem Benohoud、Sakari Tuokko、Petri M. Pihko

  DOI：10.1002/chem.201100655

  日期：2011.7.18

  A highly versatile and efficient hydrosilylation method by palladium nanoparticle catalysis allows the direct and chemoselective synthesis of 1) enolsilanes of high isomeric purity, 2) saturated aldehydes or ketones, or 3) the corresponding saturated acetals from α,β‐unsaturated aldehydes or ketones. The choice of the product is determined by simply switching the solvent from THF to mixtures of THF/water

  通过钯纳米粒子催化的高度通用和高效的氢化硅烷化方法可以直接和化学选择性地合成1）高异构纯度的烯醇硅烷，2）饱和醛或酮或3）由α，β-不饱和醛或酮相应的饱和缩醛。通过简单地将溶剂从THF切换为THF /水或THF /醇的混合物来确定产品的选择。
• Hydrosilylation-Promoted Furan Diels–Alder Cycloadditions with Stereoselectivity Controlled by the Silyl Group
  作者：Zhi-Yun Liu、Ming Zhang、Xiao-Chen Wang

  DOI：10.1021/jacs.9b11909

  日期：2020.1.8

  unprecedented B(C6F5)3-catalyzed cascade reaction of N-allyl-N-furfurylamides involving an initial intramolecular furan Diels-Alder reaction and subsequent ether cleavage. The reaction has a broad substrate scope, even tolerating a trialkyl-substituted olefin as the dienophile, which has not previously been observed with conventional furan Diels-Alder reactions. In addition, the relative configuration

  在此，我们描述了一种前所未有的 B(C6F5)3 催化的 N-烯丙基-N-糠基酰胺级联反应，包括初始分子内呋喃 Diels-Alder 反应和随后的醚裂解。该反应具有广泛的底物范围，甚至可以容忍三烷基取代的烯烃作为亲二烯体，这在以前的常规呋喃 Diels-Alder 反应中是没有观察到的。此外，产物的相对构型可以通过选择甲硅烷基来控制：涉及 Et3SiH 和 iPr3SiH 的反应产生不同的非对映异构体。对照实验和计算研究表明，甲硅烷基的空间体积在决定反应途径和产物的相对构型方面起着关键作用。
• Silylium-Ion-Promoted Ring-Opening Hydrosilylation and Disilylation of Unactivated Cyclopropanes
  作者：Avijit Roy、Vittorio Bonetti、Guoqiang Wang、Qian Wu、Hendrik F. T. Klare、Martin Oestreich

  DOI：10.1021/acs.orglett.0c00173

  日期：2020.2.7

  hydrosilylation of unactivated cyclopropanes is reported. The reaction is facilitated by the γ-silicon effect, and the regioselectivity is influenced by various stabilizing effects on the carbenium-ion intermediates, including the β-silicon effect. The experimental observations are in accord with the computed reaction mechanism. The work also showcases the ability of silylium ions to isomerize cyclopropyl to allyl

  据报道，未活化的环丙烷的甲硅烷基离子促进的开环氢化硅烷化。γ-硅效应促进了反应，区域选择性受到对碳离子中间体的各种稳定作用（包括β-硅作用）的影响。实验观察结果符合计算的反应机理。该工作还展示了甲硅烷基离子将环丙基异构化为烯丙基的能力，并且所得的α-烯烃参与了甲硅烷基离子介导的六甲基二硅烷的二甲硅烷基化反应。
• Unprecedented organocatalytic reduction of lignin model compounds to phenols and primary alcohols using hydrosilanes
  作者：Elias Feghali、Thibault Cantat

  DOI：10.1039/c3cc47655c

  日期：——

  The first metal-free reduction of lignin model compounds is described. Using inexpensive PMHS and TMDS hydrosilanes as reductants, α-O-4 and β-O-4 linkages are reduced to primary alcohols and phenols under mild conditions using B(C₆F₅)₃as an efficient catalyst.

  描述了木质素模型化合物的首次无金属还原。在温和条件下，使用廉价的PMHS和TMDS硅氢化合物作为还原剂，α-O-4和β-O-4键被还原为主要醇和酚，使用B(C6F5)3作为高效催化剂。