三异丁基氯硅烷 | 13154-25-1

• 物质功能分类: 化学试剂 - 硅烷试剂
• 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: 三异丁基氯硅烷
• 中文别名: 氯化三异丁基甲硅烷基
• 英文名称: triiso-butylchlorosilane
• 英文别名: chlorotriisobutylsilane；triisobutylsilyl chloride；Chlor-triisobutyl-silan；Triisobutylchlorosilane；chloro-tris(2-methylpropyl)silane
• CAS: 13154-25-1
• 化学式: C₁₂H₂₇ClSi
• mdl: MFCD00010658
• 分子量: 234.885
• InChiKey: TZPZCTBZJKZFGY-UHFFFAOYSA-N

物化性质

• 沸点：
  225-8°C
• 密度：
  0.875 g/mL at 25 °C (lit.)
• 闪点：
  190 °F

计算性质

• 辛醇/水分配系数(LogP)：
  5.55
• 重原子数：
  14
• 可旋转键数：
  6
• 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

• TSCA：
  No
• 危险等级：
  8
• 危险品标志：
  C
• 危险类别码：
  R34
• 危险品运输编号：
  UN 2987 8/PG 2
• WGK Germany：
  3
• 海关编码：
  2931900090
• 包装等级：
  II
• 危险类别：
  8
• 安全说明：
  S26
• 危险标志：
  GHS05
• 危险性描述：
  H314
• 危险性防范说明：
  P280,P305 + P351 + P338,P310

SDS

---

Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : Chlorotriisobutylsilane
CAS-No. : 13154-25-1

---

Section 2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP]
Skin corrosion (Category 1B)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Causes burns.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal word Danger
Hazard statement(s)
Causes severe skin burns and eye damage.
Precautionary statement(s)
Wear protective gloves/ protective clothing/ eye protection/ face
protection.
P305 + P351 + P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
Immediately call a POISON CENTER or doctor/ physician.
Supplemental Hazard none
Statements
According to European Directive 67/548/EEC as amended.
Hazard symbol(s)
R-phrase(s)
R34 Causes burns.
S-phrase(s)
S26 In case of contact with eyes, rinse immediately with plenty of water and
seek medical advice.
S36/37/39 Wear suitable protective clothing, gloves and eye/face protection.
S45 In case of accident or if you feel unwell, seek medical advice immediately
(show the label where possible).
Other hazards - none

---

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Synonyms : Triisobutylchlorosilane
Triisobutylsilyl chloride
Formula : C12H27ClSi
Molecular Weight : 234,88 g/mol
Component Concentration
Chlorotriisobutylsilane
CAS-No. 13154-25-1 -
EC-No. 454-150-0

---

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
Take off contaminated clothing and shoes immediately. 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
Do NOT induce vomiting. 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
Material is extremely destructive to tissue of the mucous membranes and upper respiratory tract, eyes, and
skin., spasm, inflammation and edema of the larynx, spasm, inflammation and edema of the bronchi,
pneumonitis, pulmonary edema, burning sensation, Cough, wheezing, laryngitis, Shortness of breath,
Headache, Nausea
Indication of any immediate medical attention and special treatment needed
no data available

---

Section 5. FIREFIGHTING MEASURES
Extinguishing media
Suitable extinguishing media
For small (incipient) fires, use media such as "alcohol" foam, dry chemical, or carbon dioxide. For large
fires, apply water from as far as possible. Use very large quantities (flooding) of water applied as a mist or
spray; solid streams of water may be ineffective. Cool all affected containers with flooding quantities of
water.
Special hazards arising from the substance or mixture
Carbon oxides, Hydrogen chloride gas, silicon oxides
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
Use water spray to cool unopened containers.

---

Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation.
Remove all sources of ignition. Evacuate personnel to safe areas. Beware of vapours accumulating to
form explosive concentrations. Vapours can accumulate in low areas.
Environmental precautions
Prevent further leakage or spillage if safe to do so. Do not let product enter drains.
Methods and materials for containment and cleaning up
Contain spillage, and then collect with an electrically protected vacuum cleaner or by wet-brushing and
place in container for disposal according to local regulations (see section 13). Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.

---

Section 7. HANDLING AND STORAGE
Precautions for safe handling
Avoid inhalation of vapour or mist.
Keep away from sources of ignition - No smoking.Take measures to prevent the build up of electrostatic
charge.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Containers which are
opened must be carefully resealed and kept upright to prevent leakage.
Moisture sensitive.
Specific end use(s)
no data available

---

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
Tightly fitting safety goggles. Faceshield (8-inch minimum). 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).

---

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Information on basic physical and chemical properties
a) Appearance Form: clear, liquid
Colour: colourless
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 no data available
boiling range
g) Flash point 87 °C - closed cup
h) Evaporation 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 0,875 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

---

Section 10. STABILITY AND REACTIVITY
Reactivity
no data available
Chemical stability
no data available
Possibility of hazardous reactions
no data available
Conditions to avoid
Heat, flames and sparks.
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available

---

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 sensitization
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
Potential health effects
Inhalation May be harmful if inhaled. Material is extremely destructive to the tissue of
the mucous membranes and upper respiratory tract.
Ingestion May be harmful if swallowed. Causes burns.
Skin May be harmful if absorbed through skin. Causes skin burns.
Eyes Causes eye burns.
Signs and Symptoms of Exposure
Material is extremely destructive to tissue of the mucous membranes and upper respiratory tract, eyes, and
skin., spasm, inflammation and edema of the larynx, spasm, inflammation and edema of the bronchi,
pneumonitis, pulmonary edema, burning sensation, Cough, wheezing, laryngitis, Shortness of breath,
Headache, Nausea
Additional Information
RTECS: Not available

---

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
no data available
Other adverse effects
no data available

---

Section 13. DISPOSAL CONSIDERATIONS
Waste treatment methods
Product
This combustible material may be burned in a chemical incinerator equipped with an afterburner and
scrubber. Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed
professional waste disposal service to dispose of this material.
Contaminated packaging
Dispose of as unused product.

---

Section 14. TRANSPORT INFORMATION
UN number
ADR/RID: 2987 IMDG: 2987 IATA: 2987
UN proper shipping name
ADR/RID: CHLOROSILANES, CORROSIVE, N.O.S.
IMDG: CHLOROSILANES, CORROSIVE, N.O.S.
IATA: Chlorosilanes, corrosive, n.o.s.
Passenger Aircraft: Not permitted for transport
Transport hazard class(es)
ADR/RID: 8 IMDG: 8 IATA: 8
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

---

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

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  三异丁基氯硅烷 在 吡啶 、 正丁基锂 作用下， 以 四氢呋喃 、 乙醚 、 乙醇 、 正己烷 为溶剂， 反应 14.5h， 生成 3-(Triisobutylsilyl)propargyl ethyl carbonate
  参考文献：
  名称：

  Palladium-Catalyzed Reductive Homocoupling Reaction of 3-Silylpropargyl Carbonates. New Entry into Allene-Yne Compounds

  摘要：

  DOI：

  10.1021/jo00119a052
• 作为试剂：
  描述：

  4-氯-4-硝基苯甲酮 在 sodium hydroxide 、 三异丁基氯硅烷 、 potassium tert-butylate 、 苄基三乙基氯化铵 、 正己基锂 、 三氯化钛 、 对甲苯磺酸 作用下， 以 四氢呋喃 、 甲醇 、 乙二醇二甲醚 、 正己烷 、 水 、 甲苯 为溶剂， 反应 82.25h， 生成 4-(3-chlorophenyl)-6-[(4-chlorophenyl)hydroxy(1-methyl-1H-imidazol-5-yl)methyl]-1-methyl-2(1H)-quinolinone
  参考文献：
  名称：

  法呢基蛋白转移酶抑制剂 ZARNESTRATM 的合成路线

  摘要：

  Ras 癌蛋白的翻译后法呢基化是发挥其生物学效应的重要步骤，这一发现导致了法呢基蛋白转移酶抑制剂 (FTI) 的设计，以控制带有 Ras 突变的肿瘤的生长。对小鼠模型的临床前研究证实了它们对肿瘤生长的抑制作用并促进了临床开发。R115777 (ZARNESTRATM) 目前正在进行临床评估，最近的研究证实了其抗肿瘤潜力和低毒性。我们希望在此描述我们团队开发的用于访问 ZARNESTRATM 的化学合成路线。(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2004)

  DOI：

  10.1002/ejoc.200300538

文献信息

• Asymmetric Synthesis of 2-Alkyl(Aryl)-2,3-dihydro-4-pyridones by Addition of Grignard Reagents to Chiral 1-Acyl-4-methoxypyridinium Salts
  作者：Daniel L. Comins、Sajan P. Joseph、R. Richard Goehring

  DOI：10.1021/ja00090a019

  日期：1994.6

  Grignard addition to a chiral 1-acyl-4-methoxypyridinium salt provides synthetically useful 2-alkyl(aryl)-2,3-dihydro-4-pyridones in high diastereomeric excess

  格氏加成到手性 1-酰基-4-甲氧基吡啶鎓盐提供合成有用的高非对映体过量的 2-烷基（芳基）-2,3-二氢-4-吡啶酮
• A Modular Synthetic Approach to Conjugated Pentacene Di-, Tri-, and Tetramers
  作者：Dan Lehnherr、Adrian H. Murray、Robert McDonald、Rik R. Tykwinski

  DOI：10.1002/anie.201000555

  日期：2010.8.16

  band gap: π‐conjugated pentacene di‐, tri‐, and tetramers can be synthesized by using a versatile building block in Hay homocoupling as well as Cadiot–Chodkiewicz cross‐coupling reactions. This modular approach allows the evaluation of solubility, stability, and the HOMO–LUMO gap as a function of compound length. Long‐range three‐dimensional π overlap occurs in the iBu3Si‐substituted pentacene dimer (see

  注意带隙：可以通过在Hay均偶联以及Cadiot-Chodkiewicz交叉偶联反应中使用通用构件来合成π共轭并五苯二元，三元和四聚物。这种模块化的方法允许评估溶解度，稳定性和HOMO-LUMO间隙随化合物长度的变化。i Bu 3 Si取代的并五苯二聚体中发生长程三维π重叠（见图；n = 2）。
• β-Silicon-effect-promoted intermolecular site-selective C(sp³)–H amination with dirhodium nitrenes
  作者：Ryo Ninomiya、Kenta Arai、Gong Chen、Kazuhiro Morisaki、Takeo Kawabata、Yoshihiro Ueda

  DOI：10.1039/d0cc00959h

  日期：——

  A dirhodium-catalyzed, β-selective C-H amination of organosilicon compounds has been developed. Primary C(sp3)-H bonds of silylethyl groups and secondary C(sp3)-H bonds of silacycloalkanes can be selectively converted to C-N bonds at the β-position of the silicon atoms. The experimental data and theoretical calculations indicate that the strong σ-donor ability of the carbon-silicon bonds is responsible

  已经开发了有机硅化合物的-催化的β-选择性CH胺化反应。甲硅烷基乙基的伯C（sp3）-H键和硅环烷烃的仲C（sp3）-H键可以选择性地转化为硅原子β位的CN键。实验数据和理论计算表明，碳-硅键的强σ-供体能力是β-选择性的原因。动力学同位素效应清楚地表明，CH键的裂解步骤不是限制转换，而是决定选择性的步骤。
• Coronene-Containing N-Heteroarenes: 13 Rings in a Row
  作者：Alexander H. Endres、Manuel Schaffroth、Fabian Paulus、Hilmar Reiss、Hubert Wadepohl、Frank Rominger、Roland Krämer、Uwe H. F. Bunz

  DOI：10.1021/jacs.5b12642

  日期：2016.2.17

  We describe the modular synthesis of three novel large N-heteroarenes, containing 9, 11, and 13 annulated rings. This modular system features fused azaacene units to a coronene nucleus. We evaluate the optical and electronic properties and the solid-state packing of the targets. The electronic properties of the 13-ring N-heteroarene allow the fabrication of a proof-of-concept thin-film transistor.

  我们描述了三种新型大 N-杂芳烃的模块化合成，其中包含 9、11 和 13 个环。这种模块化系统的特点是将氮杂并苯单元融合到冠烯核上。我们评估了目标的光学和电子特性以及固态包装。13 环 N-杂芳烃的电子特性允许制造概念验证薄膜晶体管。多晶薄膜的电子迁移率高达 8 × 10(-4) cm/(V s)。
• Impact of Silyl Enol Ether Stability on Palladium-Catalyzed Arylations
  作者：Yong Guo、Guo-Hong Tao、Alex Blumenfeld、Jean’ne M. Shreeve

  DOI：10.1021/om1000259

  日期：2010.4.12

  The effect of stability on arylation of silyl enol ethers as dictated by the presence of bulky silyl groups was elucidated through experiment and calculation. With the enhancement of stability of the silyl enol ethers, especially of acyclic ethers, the efficiency of palladium-catalyzed arylation of silyl enolates based on ketone precursors was greatly increased.

  通过实验和计算，阐明了由庞大的甲硅烷基基团的存在所决定的稳定性对甲硅烷基烯醇醚的芳基化的影响。随着甲硅烷基烯醇醚，特别是无环醚的稳定性的增强，基于酮前体的钯催化的甲硅烷基烯醇盐的芳基化反应的效率大大提高。