碘化钛(IV) | 7720-83-4

• 物质功能分类: 无机化工 - 无机盐 - 金属卤化物及卤酸盐
• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 过渡金属盐
• 中文名称: 碘化钛(IV)
• 中文别名: 四碘化钛；碘化钛(Ⅳ)
• 英文名称: titanium(IV) iodide
• 英文别名: titanium tetraiodide；titanium(4+);tetraiodide
• CAS: 7720-83-4
• 化学式: I₄Ti
• 分子量: 555.498
• InChiKey: NLLZTRMHNHVXJJ-UHFFFAOYSA-J

物化性质

• 熔点：
  150 °C (lit.)
• 沸点：
  377,1°C
• 密度：
  4.3 g/mL at 25 °C (lit.)
• 溶解度：
  易溶于二氯甲烷、氯仿、二硫化碳。
• 稳定性/保质期：

  如果遵照规格使用和储存，则不会分解。应避免接触水分或潮湿环境。此物质在100～125℃时会发生晶型转变，高温型为立方晶系晶体，低温型的晶体对称性会降低。吸湿性极强，能溶于水并发生水解、发烟。它难溶于石油醚，易溶于苯，并且更易溶于二硫化碳。

计算性质

• 辛醇/水分配系数(LogP)：
  3.54
• 重原子数：
  5
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

ADMET

毒理性

• 副作用

Dermatotoxin - 皮肤烧伤。

Dermatotoxin - Skin burns.

来源:Haz-Map, Information on Hazardous Chemicals and Occupational Diseases

安全信息

• TSCA：
  Yes
• 危险等级：
  8
• 危险品标志：
  C
• 安全说明：
  S26,S36/37/39,S45
• 危险类别码：
  R34
• WGK Germany：
  3
• 海关编码：
  28276000
• 危险品运输编号：
  UN3260
• 包装等级：
  II
• 危险标志：
  GHS05
• 危险性描述：
  H314
• 危险性防范说明：
  P280,P305 + P351 + P338,P310
• 储存条件：
  在干燥的保护气体氛围中处理，并确保贮藏容器密封。将容器存放在阴凉、干燥处。

SDS

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Section 1: Product Identification
Chemical Name: Titanium (IV) iodide (99.99%-Ti) PURATREM
CAS Registry Number: 7720-83-4
Formula: TiI4
EINECS Number: 231-754-0
Chemical Family: metal halide
Synonym: Titanium tetraiodide

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Section 2: Composition and Information on Ingredients
Ingredient CAS Number Percent ACGIH (TWA) OSHA (PEL)
Title Compound 7720-83-4 100% no data no data

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Section 3: Hazards Identification
Corrosive to skin, eyes, and mucous membranes. May cause coughing, wheezing, shortness of breath,
Emergency Overview:
headache, nausea and vomiting. Ingestion may cause damage to the mouth, throat and esophagus.
Primary Routes of Exposure: Ingestion, inhalation, skin, eyes.
Eye Contact: Corrosive to eyes.
Skin Contact: Corrosive to skin.
Inhalation: Inhalation may cause inflammation of the respiratory tract, edema and chemical pneumonitis.
Ingestion: Ingestion may cause damage to the mouth, throat and esophagus.
Corrosive to skin, eyes and mucous membranes. Inhalation causes coughing, wheezing, shortness of breath,
Acute Health Affects:
headache, nausea, and vomiting. Ingestion may cause damage to the mouth throat and esophagus.
Chronic ingestion of iodides may produce iodism. Symptoms include skin rash, running nose, headache and
Chronic Health Affects:
irritation of mucous membranes.
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: none required
If involved in a fire, fire fighters should be equipped with a NIOSH approved positive pressure self-contained
Special Fire Fighting Procedures:
breathing apparatus and full protective clothing.
Hazardous Combustion and If involved in a fire this material may emit corrosive hydrogen iodide fumes.
Decomposion Products:
Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards.

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SECTION 6: Accidental Release Measures
Small spills can be mixed with powdered sodium bicarbonate, lime, or calcium carbonate and swept up.
Spill and Leak Procedures: Spillage in areas not adequately ventilated may require an evacuation of area. Emergency response teams
will require self-contained breathing apparatus.

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SECTION 7: Handling and Storage
Store material in a tightly sealed bottle away from moisture. If possible, handle material in an efficient fume
Handling and Storage:
hood. Prolonged exposure to the atmosphere may 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: If possible, handle the material in an efficient fume hood.
In the absence of adequate ventilation a respirator should be worn. The use of a respiratory requires a
Respirator:
Respirator Protection Program to be in compliance with 29 CFR 1910.134.
Ventilation: If possible, 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: black xtl.
Molecular Weight: 555.52
Melting Point: 150°
Boiling Point: 377.1°C
Vapor Pressure: no data
Specific Gravity: 4.3
Odor: Pungent odor.
Solubility in Water: reacts with water

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SECTION 10: Stability and Reactivity
Stability: moisture sensitive
Hazardous Polymerization: no hazardous polymerization
Conditions to Avoid: contact with moisture
Incompatibility: Oxidizing agents, water, alcohols, active metals and halogens
Decomposition Products: with moisture: hydrogen iodide

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SECTION 11: Toxicological Information
RTECS Data: No information available in the RTECS files.
Carcinogenic Effects: no data
Mutagenic Effects: no data
Tetratogenic Effects: no data

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SECTION 12: Ecological Information
Ecological Information: No information available

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

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SECTION 14: Transportation
Shipping Name (CFR): Corrosive Solid, Acidic, Inorganic, N.O.S.
Hazard Class (CFR): 8
Additional Hazard Class (CFR): NA
Packaging Group (CFR): II
UN ID Number (CFR): UN# 3260
Shipping Name (IATA): Corrosive Solid, Acidic, Inorganic, N.O.S.
Hazard Class (IATA): 8
Additional Hazard Class (IATA): NA
Packaging Group (IATA): II
UN ID Number (IATA): UN# 3260

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SECTION 15: Regulatory Information
TSCA: 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

制备方法与用途

溶解性

四碘化钛微溶于石油醚，适中地溶解于苯中，并且较易溶于氯代烃和二硫化碳中。

化学反应性

在高温条件下，四碘化钛可逆地与金属钛反应生成二碘化钛。同时，四碘化钛也能与二碘化钛反应生成三碘化钛。四碘化钛可通过以下几种方法制备：由金属钛与碘蒸气反应得到；碳化钛与碘反应得到；或通过四氯化钛与氢和碘的混合物反应获得。

用途

四碘化钛可用作低温沉积纯钛薄膜的前体，并且可以用于金属钛的精炼等。

反应信息

• 作为反应物：
  描述：

  碘化钛(IV) 以 neat (no solvent) 为溶剂， 生成 四氢化物钛
  参考文献：
  名称：

  关于使用四碘化钛在热钨丝上生长钛膜的必要实验条件

  摘要：

  摘要 建立了利用四碘化钛热分解在热钨丝上生长钛薄膜的实验系统。在这个系统中检查了不同的程序，以建立必要的实验条件来促进钛沉积。考虑到沉积反应的热力学分析了实验结果。已经发现，热丝周围的碘分压是决定沉积可行性的更相关参数，并且对于典型的TiI 4 分压必须始终保持低于10 -2 atm。该声明适用于我们实验室使用四碘化钛进行的动态实验，也适用于其他作者使用粗钛和碘进行的循环实验。

  DOI：

  10.1016/0925-8388(95)01644-9
• 作为产物：
  描述：

  以 neat (no solvent) 为溶剂， 以210 %的产率得到碘化钛(IV)
  参考文献：
  名称：

  Troyanov, S. I.; Mazo, G. N., Russian Journal of Inorganic Chemistry, 1988, vol. 33, p. 499 - 501

  摘要：

  DOI：
• 作为试剂：
  描述：

  1-(toluene-4-sulfonyl)-aziridine-2-carboxylic acid methyl ester 、 Acetic acid, [(4-methoxyphenyl)imino]-, ethyl ester, (2E)- 在 碘化钛(IV) 作用下， 以 四氢呋喃 为溶剂， 反应 15.5h， 以25%的产率得到
  参考文献：
  名称：

  Titanium Tetraiodide Mediated Reductive Opening of Aziridines, Leading to the Aldol and Mannich-Type Reactions

  摘要：

  Reductive ring-opening of N-tosylazirindes was readily carried out with titanium tetraicidide to form the titanium enolates, which in turn were subjected to addition reaction with aldehydes or imines to give aldol or Mannich-type products in good yields.

  DOI：

  10.3987/com-06-s(w)9

文献信息

• INSIGHTS into the structures adopted by titanocalix[6 and 8]arenes and their use in the ring opening polymerization of cyclic esters
  作者：Orlando Santoro、Mark R. J. Elsegood、Elizabeth V. Bedwell、Jake A. Pryce、Carl Redshaw

  DOI：10.1039/d0dt02130j

  日期：——

  In the case of [TiI4], the ladder [(TiI)2(TiINCMe)2(μ3-O)2(L2)]·7.25CH2Cl2 (11·7.25CH2Cl2) was isolated. These complexes have been screened for their potential to act as catalysts in the ring opening polymerization (ROP) of ε-caprolactone (ε-CL), δ-valerolactone (δ-VL) and rac-lactide (r-LA), both in air and N2. For ε-CL and δ-VL, moderate activity at 130 °C over 24 h was observed for 1, 9 and 11; for

  对叔丁基杯[6] areneH 6，L 1 H 6与[TiCl 4 ]的相互作用提供了络合物[Ti 2 Cl 3（MeCN）2（OH 2）（L 1 H）] [Ti 2 Cl 3（MeCN）3（L 1 H）]·4.5MeCN（1 ·4.5MeCN），其中两个假八面体钛中心与一个杯[6]芳烃键合。类似的反应，但使用THF导致THF开环产物钛[Ti 4氯2（μ 3 -O）2（NCMe）2（L）2（O（CH 2）4 Cl）2 ]·4MeCN（2 ·4MeCN），其中LH 4 =对叔丁基杯[4] areneH 4。处理后，L 1 H 6与[TiF 4 ]（3当量）的相互作用导致形成[[TiF）2（μ-F）L 1 H] 2 ·6.5MeCN（3 ·6.5MeCN）的络合物。用[TiCl 4 ]处理对叔丁基杯[8] areneH 8，L 2 H 8导致分离出复合物[（TiCl）2（TiClNCMe）2（μ
• Aqueous chemistry of Bis(cyclopentadienyl)dihalotitanium(IV)
  作者：Dina Nath、R.K. Sharma、A.N. Bhat

  DOI：10.1016/s0020-1693(00)94100-8

  日期：1976.1

  Abstract Bis(cyclopentadienyl)dibromotitanium(IV) and bis(cyclopentadienyl)diiodotitanium(IV) have been prepared by the reaction of cyclopentadienylthallium(I) and the appropriate titanium tetrahalide. The aqueous chemistry of (C 5 H 5 ) 2 TiX 2 has been reinvestigated. It has been found that compounds (C 5 H 5 ) 2 TiX 2 (X = F, Cl, Br, I) can be prepared in good yields by the action of haloacids on

  摘要通过环戊二烯基th（I）与适当的四卤化钛反应制得了双（环戊二烯基）二溴钛（IV）和双（环戊二烯基）二碘化钛（IV）。（C 5 H 5）2 TiX 2的水化学已经重新研究。已经发现，通过卤代酸对桥连化合物[（C 5 H 5）2 TiX的作用，可以高收率地制备化合物（C 5 H 5）2 TiX 2（X = F，Cl，Br，I）。 '] 2 O（X'= Cl，Br，I，NO 3）。也已经报道了涉及（C 5 H 5）2 TiX 2的其他卤素交换反应。
• Mechanism of Ti-Catalyzed Oxidative Nitrene Transfer in [2 + 2 + 1] Pyrrole Synthesis from Alkynes and Azobenzene
  作者：Zachary W. Davis-Gilbert、Xuelan Wen、Jason D. Goodpaster、Ian A. Tonks

  DOI：10.1021/jacs.8b03546

  日期：2018.6.13

  + 2 + 1] pyrrole synthesis from alkynes and aryl diazenes is reported. This reaction proceeds through a formally TiII/TiIV redox catalytic cycle as determined by natural bond orbital (NBO) and intrinsic bond orbital (IBO) analysis. Kinetic analysis of the reaction of internal alkynes with azobenzene reveals a complex equilibrium involving Ti═NPh monomer/dimer equilibrium and Ti═NPh + alkyne [2 + 2]

  报道了钛催化从炔烃和芳基二氮烯合成形式[2+2+1]吡咯的机理的联合计算和实验研究。该反应通过自然键轨道 (NBO) 和本征键轨道 (IBO) 分析确定的正式 TiII/TiIV 氧化还原催化循环进行。内部炔烃与偶氮苯反应的动力学分析揭示了一个复杂的平衡，涉及 Ti=NPh 单体/二聚体平衡和 Ti=NPh + 炔 [2 + 2] 环加成平衡，以及在决定速率的第二次炔插入之前的偶氮苯和吡啶抑制平衡。计算支持这种动力学分析，深入了解催化中活性物质的结构和溶剂的作用，并提供通过歧化再生钛酰亚胺催化剂的新机制。从 6 元氮杂钛环己二烯物种中还原消除生成吡咯结合的 TiII 非常容易，并且通过类似于纳扎罗夫环化的独特电环还原消除途径发生。所得的 TiII 物质通过反键合到吡咯骨架的 π* 中而稳定，尽管溶剂效应也显着稳定了吡咯损失和催化周转所需的游离 TiII 物质。进一步的计算和动力学分析表明，
• Diastereoselective Pinacol Coupling Reaction of Aliphatic and Aromatic Aldehydes Promoted by Low Valent Titanium Iodide in situ Formed by Titanium(IV) Iodide and Copper
  作者：Teruaki Mukaiyama、Naritoshi Yoshimura、Koji Igarashi

  DOI：10.1246/cl.2000.838

  日期：2000.7

  The pinacol coupling reaction of aromatic and aliphatic aldehydes including pivalaldehyde with low valent titanium iodide, in situ formed from titanium iodide(IV) and copper, proceeded smoothly in a mixed solvent of dichloromethane and pivalonitrile to give the corresponding 1,2-diols in good to high yields and dl-selectivities.

  芳香族和脂肪族醛（包括新戊醛）与碘化钛（IV）和铜原位形成的低价碘化钛的频哪醇偶联反应在二氯甲烷和新戊腈的混合溶剂中顺利进行，得到相应的 1,2-二醇。高产率和 dl 选择性。
• Synthesis of Titanium Complexes That Contain Triamido−Amine Ligands
  作者：Richard R. Schrock、Christopher C. Cummins、Thomas Wilhelm、Shirley Lin、Steven M. Reid、Moshe Kol、William M. Davis

  DOI：10.1021/om9508389

  日期：1996.3.5

  report the synthesis of a variety of titanium complexes that contain (Et3SiNCH2CH2)3N, (C6F5NCH2CH2)3N, or (Me3SiNCH2CH2CH2)3N ligands. Complexes in the first category include [(Et3SiNCH2CH2)3N]TiCl, [(Et3SiNCH2CH2)3N]Ti(OTf), and [(Et3SiNCH2CH2)3N]Ti(t-Bu). Complexes in the second category include [(C6F5NCH2CH2)3N]TiX (X = Cl, Br, I, OTf) and [(C6F5NCH2CH2)3N]TiR (R = Me, Et). Complexes in the third

  我们报告了各种钛配合物的合成，这些配合物包含（Et 3 SiNCH 2 CH 2）3 N，（C 6 F 5 NCH 2 CH 2）3 N或（Me 3 SiNCH 2 CH 2 CH 2）3 N配体。第一类络合物包括[（Et 3 SiNCH 2 CH 2）3 N] TiCl，[（Et 3 SiNCH 2 CH 2）3 N] Ti（OTf）和[（Et 3 SiNCH2 CH 2）3 N] Ti（t -Bu）。第二类络合物包括[（C 6 F 5 NCH 2 CH 2）3 N] TiX（X = Cl，Br，I，OTf）和[（C 6 F 5 NCH 2 CH 2）3 N] TiR（R =我，等等）。第三类络合物包括[（Me 3 SiNCH 2 CH 2 CH 2）3 N] TiCl和[（Me 3 SiNCH 2 CH 2 CH 2）3 N] TiCH3。在X射线研究中，[（Me 3 SiNCH 2 CH