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四(2-甲基丙基)锡烷 | 3531-43-9

中文名称
四(2-甲基丙基)锡烷
中文别名
——
英文名称
tetraisobutyl stannane
英文别名
Tetraisobutylzinn;Tetraisobutyl-stannan
四(2-甲基丙基)锡烷化学式
CAS
3531-43-9
化学式
C16H36Sn
mdl
——
分子量
347.172
InChiKey
CKPJWJGGZOJURQ-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 熔点:
    -12.9°C
  • 密度:
    1.0500
  • 保留指数:
    1461;1463;1474;1466

计算性质

  • 辛醇/水分配系数(LogP):
    6.06
  • 重原子数:
    17
  • 可旋转键数:
    8
  • 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

  • 海关编码:
    2931900090

SDS

SDS:48a49d23aef3c540e6b03c9083a8aff0
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Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : TETRAISOBUTYLTIN
CAS-No. : 3531-43-9
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances



Section 2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
Not a hazardous substance or mixture according to Regulation (EC) No. 1272/2008.
This substance is not classified as dangerous according to Directive 67/548/EEC.
Label elements
This substance is not classified as dangerous according to Directive 67/548/EEC.
Other hazards - none

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Formula : C16H36Sn
Molecular Weight : 347,16 g/mol

Section 4. FIRST AID MEASURES
Description of first aid measures
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration.
In case of skin contact
Wash off with soap and plenty of water.
In case of eye contact
Flush eyes with water as a precaution.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water.
Most important symptoms and effects, both acute and delayed
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
Indication of any immediate medical attention and special treatment needed
no data available

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
Carbon oxides, Tin/tin oxides
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, protective equipment and emergency procedures
Avoid dust formation. Avoid breathing vapors, mist or gas.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Sweep up and shovel. 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
Provide appropriate exhaust ventilation at places where dust is formed.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Specific end uses
no data available

Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
General industrial hygiene practice.
Personal protective equipment
Eye/face protection
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
Choose body protection in relation to its type, to the concentration and amount of dangerous
substances, and to the specific work-place., The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Respiratory protection is not required. Where protection from nuisance levels of dusts are desired,
use type N95 (US) or type P1 (EN 143) dust masks. 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: solid
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 no data available
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 no data available
n) Water solubility no data available
o) Partition coefficient: n- no data available
octanol/water
p) Autoignition 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
no data available
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products

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. May cause respiratory tract irritation.
Ingestion May be harmful if swallowed.
Skin May be harmful if absorbed through skin. May cause skin irritation.
Eyes May cause eye irritation.
Signs and Symptoms of Exposure
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
Additional Information
RTECS: WH8626000

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
Offer surplus and non-recyclable solutions to a licensed disposal company.
Contaminated packaging
Dispose of as unused product.

Section 14. TRANSPORT INFORMATION
UN number
ADR/RID: - IMDG: - IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA: Not dangerous goods
Transport hazard class(es)
ADR/RID: - IMDG: - IATA: -
Packaging group
ADR/RID: - IMDG: - IATA: -
Environmental hazards
ADR/RID: no IMDG Marine pollutant: no IATA: no
Special precautions for user
no data available



SECTION 15 - REGULATORY INFORMATION
N/A


SECTION 16 - ADDITIONAL INFORMATION
N/A

上下游信息

  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    描述:
    四(2-甲基丙基)锡烷 作用下, 以 四氯化碳 为溶剂, 生成 三异丁基锡溴化物
    参考文献:
    名称:
    电子供体-受体复合物。1.电荷转移跃迁能与烷基金属卤解动力学的线性自由能相关性
    摘要:
    DOI:
    10.1021/j100455a007
  • 作为产物:
    参考文献:
    名称:
    Über Organo-Hetero-Polysäureanhydride
    摘要:
    AbstractDurch Polykondensation unter Abspaltung von Äthylacetat wurden Organo‐Hetero‐Polysäureanhydride von Silizium, Zinn, Bor und Phosphor dargestellt und ihre Eigenschaften beschrieben.
    DOI:
    10.1002/macp.1957.020220107
  • 作为试剂:
    描述:
    4,4'-dimethoxydiphenylmethyl chloride三氯化硼四(2-甲基丙基)锡烷 作用下, 以 二氯甲烷 为溶剂, 以65%的产率得到4,4-二甲氧基二苯基甲烷
    参考文献:
    名称:
    建立全面的氢化物供体能力量表
    摘要:
    从几个氢化物供体到benzhydrylium离子氢化物转移率在20℃下被测量和用于经验亲核性参数的确定Ñ和š Ñ根据线性自由能关系日志 ķ 20℃ =小号Ñ(Ñ + Ë)。ity离子对氢化物提取速率常数与根据反应性参数s N,N和E计算得出的速率常数的比较显示出合理的一致性。因此,有可能将大量关于三苯甲烷离子氢化物提取的文献数据转化为N和相应氢化物供体的s N参数,并为氢化物供体建立覆盖20个数量级以上的反应性标度。
    DOI:
    10.1002/chem.201202839
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文献信息

  • Steric effects on the formation of isolable products in the reactions of dibutyltin oxides with carboxylic acids
    作者:V.B. Mokal、V.K. Jain
    DOI:10.1016/0022-328x(92)83381-q
    日期:1992.12
    (CH3)2CH (iPr) and (CH3)3C (tBu)] in 1:1 and 1:2 stoichiometry were investigated. The products formed in these reactions were characterized by elemental analyses, IR and NMR (1H, 13C and 119Sn) data. Reactions in 1:2 stoichiometry afforded dibutyltin dicarboxylates which have six-coordinate tin atom. Steric effects of the butyl group and the R group of the carboxylate ligand play an important role in
    氧化二丁基锡,x Bu 2 SnO [ x = n(正态),i(异),s(仲)和t(叔)]与羧酸[RCOOH; řCH 3,(Me)时,CH 3 CH 2(ET),(CH 3)2 CH(我PR)和(CH 3)3 C(吨丁基)]在1:1和1:2的化学计量进行了研究。在这些反应中形成的产物通过元素分析,IR和NMR(1 H,13 C和119Sn)数据。以1:2化学计量比的反应得到具有六配位锡原子的二羧酸二丁基锡。丁基和羧酸酯配体的R基团的立体效应在1:1反应中起重要作用。与n Bu 2 SnO形成二羧基四有机锡氧烷类,而[ t Bu 2 Sn(μ-OH)(OOCR)] 2羟基配合物是唯一与t Bu 2 SnO形成的产物。所有这些配合物的立体化学都基于NMR数据进行了讨论。
  • Charge-transfer mechanism for electrophilic reactions. SE2 cleavage of alkylmetals with iodine
    作者:S. Fukuzumi、J. K. Kochi
    DOI:10.1021/ja00527a001
    日期:1980.3
  • Donor-acceptor complexes of organometals and iodine. Alkyl ligands as probes for steric effects in charge transfer
    作者:S. Fukuzumi、J. K. Kochi
    DOI:10.1021/j100443a009
    日期:1980.3
  • Sacharkin; Ochlobystin, Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1959, p. 1942,1946;engl.Ausg.S.1853,1856
    作者:Sacharkin、Ochlobystin
    DOI:——
    日期:——
  • Neumann, W. P.; Niermann, H.; Sommer, R., Liebigs Annalen der Chemie, 1962, vol. 659, p. 27 - 39
    作者:Neumann, W. P.、Niermann, H.、Sommer, R.
    DOI:——
    日期:——
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表征谱图

  • 氢谱
    1HNMR
  • 质谱
    MS
  • 碳谱
    13CNMR
  • 红外
    IR
  • 拉曼
    Raman
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mass
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  • 峰位数据
  • 峰位匹配
  • 表征信息
Shift(ppm)
Intensity
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Assign
Shift(ppm)
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测试频率
样品用量
溶剂
溶剂用量
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