[VCl3(thf)3] | 19559-06-9

• 物质功能分类: 有机原料 - 杂环化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧唑烯
• 英文名称: [VCl3(thf)3]
• 英文别名: VCl3(tetrahydrofuran)3；Vanadium (III) chloride-(tris-tetrahydrofuran)；Trichlorotris(tetrahydrofuran)vanadium；oxolane;trichlorovanadium
• CAS: 19559-06-9
• 化学式: C₁₂H₂₄Cl₃O₃V
• 分子量: 373.621
• InChiKey: WWRUFBWWHJODKK-UHFFFAOYSA-K

物化性质

• 熔点：
  265 °C (dec.)(lit.)
• 沸点：
  40 °C
• 密度：
  1.312 g/mL at 25 °C
• 闪点：
  18 °F

计算性质

• 辛醇/水分配系数(LogP)：
  4.46
• 重原子数：
  19
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  27.7
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险等级：
  8
• 危险品标志：
  F,C
• 安全说明：
  S16,S23,S26,S27,S28,S36/37/39,S45
• 危险类别码：
  R20/21/22,R34,R11,R40
• WGK Germany：
  3
• 包装等级：
  III
• 危险类别：
  8
• 危险品运输编号：
  UN 2925 4.1/PG 2

SDS

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Section 1: Product Identification
Chemical Name: Vanadium (III) chloride tetrahydrofuran adduct
CAS Registry Number: 19559-06-9
Formula: VCl3(C4H8O)2-3
EINECS Number: none
Chemical Family: metal halide
Synonym: Vanadium trichloride tetrahydrofuran adduct

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Section 2: Composition and Information on Ingredients
Ingredient CAS Number Percent ACGIH (TWA) OSHA (PEL)
Title Compound 19559-06-9 100% no data no data

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Section 3: Hazards Identification
Corrosive to skin and eyes. May release toxic and corrosive fumes of hydrogen chloride and aqueous
Emergency Overview:
hydrochloric acid. Tetrahydrofuran can cause drowsiness and unconsciousness.
Primary Routes of Exposure: Ingestion, inhalation, skin, eyes
Eye Contact: Severe corrosive to the eyes. Exposure can lead to permanent eye damage.
Skin Contact: Corrosive to skin. Contact can lead to redness, pain, blistering, ulceration, and scar formation.
Inhalation of tetrahydrofuran vapor may cause coughing, nausea, dizziness, headache, drowsiness, and
Inhalation:
unconsciousness.
Ingestion: Ingestion of tetrahydrofuran or hydrogen chloride may cause gastrointestinal and respiratory irritation.
Inhalation of vapor induces drowsiness and may cause coughing, chest pains, difficulty in breathing, nausea,
Acute Health Affects:
dizziness, headache and unconsciousness. Hydrogen chloride can cause pulmonary edema.
Chronic Health Affects: In animal studies tetrahydrofuran acted as a tumorigen (liver), mutagen and reproductive effector.
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.
Hazardous Combustion and If involved in a fire this material may emit toxic fumes of hydrogen chloride, carbon monoxide, carbon dioxide,
Decomposion Products: and organic fumes.
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. Avoid
Spill and Leak Procedures:
raising dust.

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SECTION 7: Handling and Storage
Store solid in a tightly sealed container away from moisture. Handle in a fume hood under a dry atmosphere of
Handling and Storage:
air or nitrogen. Prolonged exposure to the atmosphere may degrade 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: The solid may form corrosive vapors. It should be handled in an efficient fume hood.
If in form of fine dust and ventilation is not available a respirator should be worn. The use of respirators
Respirator:
requires a Respirator Protection Program to be in compliance with 29 CFR 1910.134.
Ventilation: The solid may form corrosive vapors. It should be handled in an efficient fume hood.
Additional Protection: No additional protection required.

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SECTION 9: Physical and Chemical Properties
Color and Form: red xtl.
Molecular Weight: 157.3
Melting Point: no data
Boiling Point: no data
Vapor Pressure: no data
Specific Gravity: no data
Odor: pungent odor
Solubility in Water: reacts with water

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SECTION 10: Stability and Reactivity
Stability: moisture sensitive (store cold)
Hazardous Polymerization: no hazardous polymerization
Conditions to Avoid: contact with moisture
Incompatibility: Water, alcohols, oxidizing agents, oxygen and active metals
Decomposition Products: Vanadium oxychloride, hydrogen chloride, carbon dioxide, carbon monoxide, organic fumes.

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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 solids, N.O.S.
Hazard Class (CFR): 8
Additional Hazard Class (CFR): NA
Packaging Group (CFR): II
UN ID Number (CFR): UN# 1759
Shipping Name (IATA): Corrosive solid, N.O.S.
Hazard Class (IATA): 8
Additional Hazard Class (IATA): NA
Packaging Group (IATA): II
UN ID Number (IATA): UN# 1759

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SECTION 15: Regulatory Information
TSCA: Not listed in the TSCA inventory.
SARA (Title 313): See category code N770 for reporting.
Second Ingredient: none

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  [VCl3(thf)3] 在 四氢呋喃 、 锌 作用下， 以 四氢呋喃 为溶剂， 以96%的产率得到
  参考文献：
  名称：

  高压光谱法在研究小气态分子与过渡金属配合物和有机金属化合物的相互作用中的应用II。钒（II）和钼（II）膦配合物与CO的相互作用

  摘要：

  说明了高压红外光谱研究作为无机合成中的第一步的有用性。筛选了过渡金属络合物[VCl 2（PEt 3）2 ] 2和Mo 2 Cl 4（PEt 3）4与CO，N 2和H 2的反应性。的可逆反应[的VCl 2（PET 3）2 ] 2，和Mo的不可逆反应2氯4（PET 3）4与CO压力下进行了描述。

  DOI：

  10.1016/s0022-328x(00)88976-7
• 作为产物：
  描述：

  氯化钒 在 四氢呋喃 作用下， 以 四氢呋喃 为溶剂， 生成 [VCl3(thf)3]
  参考文献：
  名称：

  使用钾原子从溶液中的金属卤化物还原制备双（芳烃）金属配合物

  摘要：

  某些已知的零价Ti，V，Cr和Mo的双（芳烃）络合物通过在–110°C下冷凝成K原子的方法，通过逐步还原金属氯化物在四氢呋喃和芳烃中的溶液，以新的方式合成在真空中在旋转反应器中。减少的程度随后观察溶液中的颜色变化。与Ti和V一起，初始产物为双（芳烃）配合物的阴离子形式，其被氧化以得到零价化合物。该方法是制备0.1–1 g某些V，Cr和Mo双（芳烃）钛配合物和双（萘）配合物的样品的有用方法，否则只能使用过渡金属原子作为试剂才能获得这些样品。

  DOI：

  10.1039/dt9830001123
• 作为试剂：
  描述：

  Dimethylzinc 、 4-叔丁基环己酮 在 [VCl3(thf)3] 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 13.0h， 以98%的产率得到4-(1,1-二甲基乙基)-1-甲基-环己醇
  参考文献：
  名称：

  衍生自R（2）Zn和钒（III）或钒（IV）配合物的多功能试剂的产生及其在有机合成中的应用。

  摘要：

  DOI：

  10.1021/jo9703461

文献信息

• 一种含三苯甲基取代基水杨醛亚胺钒配合物 及其用途
  申请人：吉林大学

  公开号：CN106699803B

  公开（公告）日：2018-08-10

  本发明的一种含三苯甲基取代基水杨醛亚胺钒配合物及其用途属于催化剂技术领域。所述的含三苯甲基取代基水杨醛亚胺钒配合物，结构表达式如下：以所述的含三苯甲基取代基水杨醛亚胺钒配合物为主催化剂，以烷基铝氧烷或烷基氯化铝为助催化剂，以氯代乙酸乙酯为活化剂，用于催化乙烯均聚反应或乙烯与α‑烯烃、苯乙烯、降冰片烯、环己烯共聚反应。本发明具有催化活性高、热稳定性好、寿命长、共聚性能好、催化剂及助催化剂用量少等优点。
• <i>o</i> ‐Trityl phenoxy‐imino vanadium (III) complexes: synthesis, characterization, and catalysis on ethylene (co)polymerization
  作者：Zhiqiang Hao、Feng Li、Wei Gao

  DOI：10.1002/aoc.5809

  日期：2020.9

  typical octahedral geometry. Upon activation with Et2AlCl in toluene, complexes 1–6 showed high activities in ethylene polymerization affording polymers with moderate molecular weight (5.9–11.8 × 104 Da). Moreover, in hexane or CH2Cl2, 1–6/Et2AlCl exhibited enhanced activities. When activated with MAO or MMAO in toluene, these complexes showed relatively low activities but afforded polymers with ultra‐high

  苯氧基部分RN = CHArOH（Ar = C 6 H 2（CPh 3）t Bu，R = 2,6-Me 2 C 6 H 3（L 1 H）;中的几个带有邻三苯甲基的苯氧基亚胺配体; 2， 6‐ i Pr 2 C 6 H 3（L 2 H）; 3,5‐（CF 3）2 C 6 H 3（L 3 H）; 3,5‐（OMe）2 C 6 H 3（L 4 H）；CHPh 2（L 5 H）；合成CPh 3（L 6 H）），并通过1 H NMR和13 C NMR谱进行表征。通过常规的金属转移反应，以中等至高产率合成了基于这些配体LVCl 2（THF）2（1-6）的钒配合物。配合物1-6被完全表征通过FT-IR，元素分析和的分子结构1，2 ·H 2 O，（2 ·H2 ö ）2（μ -Cl）2，4，和5是由X射线结晶学分析，其中所述六配位钒中心是在典型的八面体几何形状的证实。在甲苯中用Et 2 AlCl活化后，配合
• Synthesis, Structural, and Magnetic Studies on a Redox Family of Tetrametallic Vanadium Clusters:  {V^IV₄}, {V^III₂V^IV₂}, and {V^III₄} Butterfly Complexes
  作者：Ian S. Tidmarsh、Emma Scales、Paul R. Brearley、Joanna Wolowska、Lorenzo Sorace、Andrea Caneschi、Rebecca H. Laye、Eric J. L. McInnes

  DOI：10.1021/ic7011183

  日期：2007.11.1

  The synthesis, crystal structures, and magnetic properties are reported for a redox family of butterfly-type tetrametallic vanadium alkoxide clusters, namely [V2(VO)2(acac)4(RCCH2O}3)2] (R=Me 1, Et 2, CH2OH 3), [V2(VO)2(acac)2(O2CPh)2(MeCCH2O}3)2] (5), [(VO)4(MeOH)2(O2CPh)2(HOCH2}CCH2O}3)2] (6), [V4Cl2(dbm)4(RCCH2OH}3)2] (R=Me 7, Et 8, CH2OH 9), and [V4Cl2(dbm)4(MeO)6] (10). The cluster cores

  报告了蝴蝶型四金属钒醇盐簇的氧化还原族，即[V2（VO）2（acac）4（RC CH2O} 3）2]（R = Me 1， Et 2， H 3），[V2（VO）2（acac）2（O2CPh）2（MeC } 3）2]（5），[（VO）4（MeOH）2（O2CPh）2（HOCH2 } C } 3）2]（6），[V4Cl2（dbm）4（RC H} 3）2]（R = Me 7，Et 8， H 9）和[V4Cl2（dbm）4（MeO ）6]（10）。簇核为VIV4}（6），VIII2VIV2}（1-5）和VIII4}（7-10），并带有混合价核的两种异构形式（VIII或VIV离子）形成蝴蝶体）。磁性研究表明，在每种情况下，这些团簇都受到反铁磁交换相互作用的支配。确定每种芯类型的代表性示例的磁交换参数。VIV4}和VIII4}具有反磁性基态。
• Tri-, tetra- and octa-metallic vanadium(III) clusters from new, simple starting materials: interplay of exchange and anisotropy effects
  作者：Ian S. Tidmarsh、Luke J. Batchelor、Emma Scales、Rebecca H. Laye、Lorenzo Sorace、Andrea Caneschi、Jürgen Schnack、Eric J. L. McInnes

  DOI：10.1039/b911586b

  日期：——

  The crystal structure of the monomeric vanadium(III) species mer-[V(bipy)Cl3(MeCN)] (1; bipy = 2,2′-bipyridine) is reported. The solvothermal reaction of [V(bipy)Cl3(MeCN)]with Na(O2CPh) yields the T-shaped cluster [V3(O)Cl3(O2CPh)2(bipy)2(OEt)2], magnetic studies of which show strong intramolecular antiferromagnetic coupling giving a well isolated S = 1 ground state. Solvothermal treatment of 1 with triols yields a series of polymetallic clusters [V4Cl6(thme)2(bipy)3], [V3Cl4(Hcht)2(bipy)2]Cl and [V8(OH)2Cl4(cht)4(O2CPh)6(bipy)2], structurally related to previously reported M4} centred triangles. Magnetic studies of this series reveal very weak intramolecular antiferromagnetic exchange and very strong local zero-field splitting effects.

  单体铌(III)物种 mer-[V(bipy)Cl3(MeCN)] (1; bipy = 2,2'-联吡啶) 的晶体结构已被报道。用 Na(O2CPh) 处理 [V(bipy)Cl3(MeCN)] 的溶剂热反应生成 T 形簇 [V3(O)Cl3(O2CPh)2(bipy)2(OEt)2]，其磁性研究显示强烈的分子内反铁磁耦合，形成良好分离的 S = 1 基态。对 1 进行三醇的溶剂热处理，得到一系列多金属簇 [V4Cl6(thme)2(bipy)3]、[V3Cl4(Hcht)2(bipy)2]Cl 和 [V8(OH)2Cl4(cht)4(O2CPh)6(bipy)2]，这些结构与之前报道的 M4} 中心三角形相关。该系列的磁性研究揭示出极弱的分子内反铁磁交换和非常强的局部零场劈裂效应。
• Synthesis and structures of transition metal pacman complexes of heteroditopic Schiff-base pyrrole macrocycles
  作者：James W. Leeland、Colin Finn、Bérengère Escuyer、Hiroyuki Kawaguchi、Gary S. Nichol、Alexandra M. Z. Slawin、Jason B. Love

  DOI：10.1039/c2dt31850d

  日期：——

  forming alkali, alkaline earth, and transition metal complexes that were characterised spectroscopically and crystallographically. While the conformationally flexible O5 donor set allows the formation of helical potassium salt structures, the transition metal complexes of all variants of these macrocycles invariably adopt wedged, Pacman-shaped structures in which the metal is bound in the pyrrole-imine N4

  通过ONO或O 5连接的芳基二胺与二吡咯甲烷二醛之间直接的路易斯酸催化的[1 + 1]缩合反应，制备了一系列多齿双室席夫碱吡咯大环化合物。这些大环具有氢键受体和给体性质，并为金属化反应提供了独特的N 4和O 5 / ONO给体，因此形成了碱金属，碱土金属和过渡金属配合物，这些金属配合物在光谱和晶体学上都有特征。而构型灵活的O 5供体组允许形成螺旋钾盐结构，这些大环所有变体的过渡金属络合物始终采用楔形，Pacman形结构，其中金属结合在吡咯-亚胺N 4供体组中，因此保留了ONO / O 5供体设置吊坠和根尖。在某些情况下（V，Cr和Co），路易斯酸结合位点和氢键受体的这种近邻结合促进了分子裂隙中水的配位。或者，可以看到悬臂和金属之间的直接相互作用（例如Ti）。还制备了较高阶的[2 + 2]大环，作为环化的次要，不可分离的副产物，以及Fe 2，Mn 2和Co 2 通过X射线晶体学发现这些较大的大环的复合物采用双核螺旋结构。