三-I-丙基氯化锡 | 14101-95-2

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 中文名称: 三-I-丙基氯化锡
• 中文别名: 三异丙基氯化锡
• 英文名称: chlorotriisopropylstannane
• 英文别名: triisopropyltin chloride；Tri(propan-2-yl)stannanylium;chloride；tri(propan-2-yl)stannanylium;chloride
• CAS: 14101-95-2
• 化学式: C₉H₂₁ClSn
• 分子量: 283.429
• InChiKey: DDFYIVSQEDKSGY-UHFFFAOYSA-M

物化性质

• 沸点：
  220℃
• 闪点：
  87℃
• 稳定性/保质期：

  遵照规定使用和储存，则不会发生分解。

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  11
• 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

• 海关编码：
  2931900090
• 储存条件：
  存放在阴凉干燥处即可。

SDS

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Section 1: Product Identification
Chemical Name: Tri-i-propyltin chloride, min. 98%
CAS Registry Number: 14101-95-2
Formula: (C3H7)3SnCl
EINECS Number: none
Chemical Family: organotin compound
Synonym: Chlorotriisopropylstannane, Chlorotriisopropyltin

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Section 2: Composition and Information on Ingredients
Ingredient CAS Number Percent ACGIH (TWA) OSHA (PEL)
Title compound 14101-95-2 100% 0.1mg/m3 (Sn-org) 0.1mg/m3 (Sn-org)

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Section 3: Hazards Identification
Emergency Overview: Toxic if swallowed. Severe irritant by inhalation and in contact with skin.
Primary Routes of Exposure: Ingestion, inhalation, skin, eyes
Eye Contact: May cause severe irritation to the eyes.
Skin Contact: May causes severe irritation of the skin.
Forms hydrogen chloride upon exposure to the atmosphere. Inhalation may lead to irritation of the respiratory
Inhalation:
tract.
Ingestion: Toxic if swallowed.
Toxic by inhalation, in contact with skin and if swallowed. May be irritating to skin, eyes and respiratory tract.
Acute Health Affects:
May cause eye and skin burns, dyspnea (breathing difficulty) and pulmonary edema.
Chronic Health Affects: No information on long-term chronic effects.
NTP: No
IARC: No
OSHA: No

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SECTION 4: First Aid Measures
Immediately flush the eyes with copious amounts of water for at least 10-15 minutes. A victim may need
Eye Exposure:
assistance in keeping their eye lids open. Get immediate medical attention.
Wash the affected area with water. Remove contaminated clothes if necessary. Seek medical assistance if
Skin Exposure:
irritation persists.
Remove the victim to fresh air. Closely monitor the victim for signs of respiratory problems, such as difficulty
Inhalation:
in breathing, coughing, wheezing, or pain. In such cases seek immediate medical assistance.
Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious). Induce
Ingestion:
vomiting only if directed by medical personnel.

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SECTION 5: Fire Fighting Measures
Flash Point: not applicable
Autoignition Temperature: none
Explosion Limits: none
Extinguishing Medium: carbon dioxide, dry powder or foam
If this product is involved in a fire, fire fighters should be equipped with a NIOSH approved positive pressure
Special Fire Fighting Procedures:
self-contained breathing apparatus and full protective clothing.
Hazardous Combustion and If involved in a fire this material may emit hydrochloric acid fumes.
Decomposion Products:
Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards

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SECTION 6: Accidental Release Measures
Spill and Leak Procedures: Small spills can be mixed with vermiculite or sodium carbonate and swept up.

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SECTION 7: Handling and Storage
Store material in a tightly sealed container away from moisture. If possible, handle material in an efficient fume
Handling and Storage:
hood. Prolonged exposure to the atmosphere will lead to degradation of the product.

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SECTION 8: Exposure Controls and Personal Protection
Eye Protection: Always wear approved safety glasses when handling a chemical substance in the laboratory.
Skin Protection: Wear protective clothing and gloves. Consult with glove manufacturer to determine the proper type of glove.
Ventilation: Handle the material in an efficient fume hood.
If ventilation is not available a respirator should be worn. The use of respirators requires a Respirator
Respirator:
Protection Program to be in compliance with 29 CFR 1910.134.
Ventilation: Handle the material in an efficient fume hood.
Additional Protection: No additional protection required.

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SECTION 9: Physical and Chemical Properties
Color and Form: colorless liquid
Molecular Weight: 283.43
Melting Point: no data
Boiling Point: no data
Vapor Pressure: no data
Specific Gravity: no data
Odor: not determined
Solubility in Water: insoluble

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SECTION 10: Stability and Reactivity
Stability: air and moisture stable
Hazardous Polymerization: no hazardous polymerization
Conditions to Avoid: none
Incompatibility: strong oxidizing agents and halogens
Decomposition Products: carbon monoxide, carbon dioxide, hydrochloric acid, organic fumes, and tin oxychlorides.

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SECTION 11: Toxicological Information
RTECS Data: Oral(rat); LD50: 44mg/kg.
Carcinogenic Effects: no data
Mutagenic Effects: no data
Tetratogenic Effects: no data

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SECTION 12: Ecological Information
Ecological Information: Very toxic to aquatic organisms. May cause long-term adverse effects in the aquatic environment.

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SECTION 13: Disposal Considerations
Disposal: Avoid release to the environment. Dispose of according to local, state and federal regulations.

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SECTION 14: Transportation
Shipping Name (CFR): Organotin compounds, Liquid, N.O.S.
Hazard Class (CFR): 6.1
Additional Hazard Class (CFR): NA
Packaging Group (CFR): II
UN ID Number (CFR): UN# 2788
Shipping Name (IATA): Organotin compound, Liquid, N.O.S.
Hazard Class (IATA): 6.1
Additional Hazard Class (IATA): NA
Packaging Group (IATA): II
UN ID Number (IATA): UN# 2788

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SECTION 15: Regulatory Information
TSCA: Not listed in the TSCA inventory
SARA (Title 313): Title compound not listed
Second Ingredient: none

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  三-I-丙基氯化锡 生成 (i-C3H7)3SnONC(CH3)(CH2)3N(C2H5)2
  参考文献：
  名称：

  Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Sn: Org.Comp.12, 1.4.1.1.1.4, page 33 - 35

  摘要：

  DOI：
• 作为产物：
  描述：

  Methyl-tri-isopropylzinn 在 Br₂ 、 HCl 作用下， 以 甲醇 、 四氯化碳 、 乙醚 为溶剂， 生成 三-I-丙基氯化锡
  参考文献：
  名称：

  Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Sn: Org.Verb.2, 1.1.2.4, page 270 - 272

  摘要：

  DOI：

文献信息

• Substitution at saturated carbon. Part XIII. Steric effects in the substitution of tetra-alkyltin compounds by mercury(II) chloride in t-butyl alcohol and in acetonitrile
  作者：M. H. Abraham、F. Behbahany、M. J. Hogarth

  DOI：10.1039/j19710002566

  日期：——

  previously for the substitution of tetra-alkyltins by mercury(II) chloride in methanol and methanol–water mixtures. It is concluded that the above substitutions in solvents t-butyl alcohol and acetonitrile proceed by essentially the same mechanism as do the corresponding substitutions in solvents methanol and methanol–water, that is by the SE2(open) mechanism of substitution at saturated carbon.

  已确定了在溶剂叔丁醇和乙腈中用氯化汞（II）取代四甲基，四乙基，四正丙基，四异丙基，四正丁基和四异丁基锡的速率常数。。对于这两种溶剂，速率常数沿R 4 Sn = Me 4 Sn Et 4 Sn> Pr n 4 Sn Bu n 4 Sn> Bu i 4 Sn Pr i 4 Sn序列显着降低，因此产生相同的空间顺序以前发现的被汞取代四烷基锡的反应性（II）在甲醇和甲醇-水混合物中的氯化物。结论是，上述在叔丁醇和乙腈溶剂中的取代基本上是通过与在溶剂甲醇和甲醇-水中的相应取代相同的机理进行的，即通过在饱和碳原子上的S E 2（open）取代机理进行的。 。
• Substitution at saturated carbon. Part V. The bimolecular electrophilic substitution of several tetra-alkyltins by mercuric chloride in methanol–water mixtures. Kinetics, mechanism, and activation parameters
  作者：M. H. Abraham、G. F. Johnston

  DOI：10.1039/j19700000193

  日期：——

  coefficients and activation parameters are reported for the substitution of tetramethyl-, tetra-n-propyl-, tetra-n-butyl-, and tetraisobutyl-tin by mercuric chloride in methanol–water mixtures of mole fraction methanol 1, 0·91, and 0·72. In addition, an upper limit can be set for the rate coefficient for substitution of tetraisopropyltin by mercuric chloride. The rate coefficients decrease in value markedly

  据报道，在摩尔分数为1，0的甲醇-甲醇混合物中，氯化汞可以用氯化汞取代四甲基，四正丙基，四正丁基和四异丁基锡的二阶速率系数和活化参数。 ·91和0·72。另外，可以设定氯化汞取代四异丙基锡的速率系数的上限。速率系数的值沿序列R 4 Sn = Me 4 Sn Et 4 Sn> Pr n 4 Sn Bu n 4 Sn> Bu i 4 Sn Pr i 4显着减小用锡替代三种使用的溶剂混合物。尽管随着溶剂中水含量的增加，任何给定的四烷基锡的取代率系数都显着增加，但是与取代四甲基锡的比率相比，相对速率系数几乎不受溶剂组成变化的影响。结论是，在所使用的三种溶剂混合物中，氯化汞对四烷基锡的取代是通过饱和碳上亲电取代的S E 2（open）机理，通过已经发生大量电荷分离的过渡态进行的。
• Is the phosphaethynolate anion, (OCP)−, an ambident nucleophile? A spectroscopic and computational study
  作者：Dominikus Heift、Zoltán Benkő、Hansjörg Grützmacher

  DOI：10.1039/c3dt53569j

  日期：——

  The reactivity of Na(OCP) was investigated towards triorganyl compounds of the heavier group 14 elements (R3EX R = Ph or iPr; E = Si, Ge, Sn, Pb; X = Cl, OTf). In the case of E = Si two constitutional isomers were formed and characterised in situ: R3Si–O–CP is the kinetic and R3Si–PCO is the thermodynamic product, representing experimental evidence of the ambident character of the (OCP)− anion. Applying theoretical calculations and spectroscopic methods, the compound previously reported as iPr3Si–O–CP can now unambiguously be identified as iPr3Si–PCO. The heavier analogues form exclusively the phosphaketene isomer R3E–PCO (E = Ge, Sn, Pb). DFT calculations were performed to gain deeper insight into the bonding and thermodynamic stability of these compounds.

  对Na(OCP)与较重第14族元素的三有机化合物(R3EX R = Ph或iPr; E = Si, Ge, Sn, Pb; X = Cl, OTf)的反应性进行了研究。在E = Si的情况下,形成了两种构造异构体并进行了原位表征:R3Si-O-CP是动力学产物,R3Si-PCO是热力学产物,代表了(OCP)⁻阴离子的双位特性的实验证据。应用理论计算和光谱方法,先前报道的化合物iPr3Si-O-CP现在可以明确地被鉴定为iPr3Si-PCO。较重的类似物仅形成磷卡烯异构体R3E-PCO(E = Ge, Sn, Pb)。进行了DFT计算,以深入了解这些化合物的键合和热力学稳定性。
• Organometallic compounds 2. Mechanisms of electrophilic substitution of metal alkyls
  作者：M.H. Abraham、J.A. Hill

  DOI：10.1016/s0022-328x(00)90821-0

  日期：1967.1

  The relative rates of electrophilic substitution of a number of series of metal alkysl of type RMXn(where X may = R), in which the alkyl group R varies along the series, have been interpreted in terms of the following mechanisms of substitution: (a) mechanism SE2, which results in a steric sequence of relative rate constants (R = Me > Et > Pr >iso-Pr >tert-Bu), (b) a newly-defined mechanisms SEC, which

  已经根据以下取代机理解释了RMX n类型（其中X可能= R）的多个系列金属烷基的亲电取代的相对速率，其中烷基R沿系列变化a）机制S E 2，这会产生相对速率常数的空间序列（R = Me> Et> Pr> iso-Pr> tert-Bu），（b）一种新定义的机制S E C，其结果是相对速率常数的极性序列（R = Me
• Reaction of Bis(pyrazol-1-yl)methanes Modified by Organotin Groups on the Methine Carbon with W(CO)₅THF to Give Novel Heterodinuclear Organometallic Complexes
  作者：Liang-Fu Tang、Shu-Bin Zhao、Wen-Li Jia、Zhi Yang、Da-Tong Song、Ji-Tao Wang

  DOI：10.1021/om030221o

  日期：2003.8.1

  can also result in the oxidative addition of the tin−carbon(sp3) bond to the tungsten(0) center, implying that the oxidative addition reaction of the tin−carbon(sp3) bond may form these decarbonylation intermediates. While the reactions of trialkylstannylbis(pyrazol-1-yl)methanes, R3SnCHPz2 (R = Et or iPr), with W(CO)5THF yield only the decarbonylation heterodinuclear complexes R3SnCHPz2W(CO)4, in which

  通过使双（吡唑-1-基）甲基锂与有机锡卤化物反应，合成了在次甲基碳上具有有机锡基团的一系列新的双（吡唑-1-基）甲烷。已经详细研究了它们与W（CO）5 THF的反应，表明这些新的配体在用W（CO）5 THF处理后显示出多种反应活性，这取决于锡原子上取代基的性质。用W（CO）5 THF处理三芳基锡烷基双（吡唑-1-基）甲烷Ar 3 SnCHPz 2（Ar =苯基或对甲苯基; Pz =取代的吡唑）导致氧化锡碳（SP 3）结合到钨（0）中心以产生新型金属-金属键合配合物CHPz 2（CO）3 W-SnAr 3，其中发现了四元金属环，而双（吡唑-1-基）甲基化物起三齿态的作用单阴离子κ 3 - [N，C，N]螯合配体。当在吡唑环的4-位上存在烷基取代基时，可以分离出一些脱羰基中间体Ar 3 SnCHPz 2 W（CO）4。顺序地加热这些中间体也可以导致氧化加成的锡-碳（SP的3）键合到钨（0）中心，这意味着锡-碳的氧化加成反应（SP