二甲氧基乙烷四氯合钼 | 134535-29-8

• 物质功能分类: 有机原料 - 烃类化合物及其衍生物
• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 二甲氧基乙烷四氯合钼
• 英文名称: MoCl₄(1,2-dimethoxyethane)
• 英文别名: MoCl₄(dme)；tetrachloro(1,2-dimethoxyethane)molybdenum(IV)；1,2-dimethoxyethane;tetrachloromolybdenum
• CAS: 134535-29-8
• 化学式: C₄H₁₀Cl₄MoO₂
• 分子量: 327.874
• InChiKey: OIRFEOWARPEGLC-UHFFFAOYSA-J

物化性质

• 熔点：
  172-176 °C
• 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)：
  3.03
• 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：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 安全说明：
  S45
• 危险类别码：
  R34
• 储存条件：
  存放在阴凉干燥处即可。

SDS

Name:	Molybdenum Tetrachloride Dimethoxyethane Complex Material Safety Data Sheet
Synonym:	None known.
CAS:	134535-29-8

Section 1 - Chemical Product MSDS Name: Molybdenum Tetrachloride Dimethoxyethane Complex Material Safety Data Sheet
Synonym: None known.

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SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
134535-29-8	Molybdenum Tetrachloride Dimethoxyetha	ca 100	unlisted

Hazard Symbols: C
Risk Phrases: 34

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SECTION 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Causes burns.Moisture sensitive.Corrosive. Potential Health Effects
Eye:
Causes eye burns. May cause chemical conjunctivitis and corneal damage.
Skin:
Causes skin burns. May cause skin rash (in milder cases), and cold and clammy skin with cyanosis or pale color.
Ingestion:
May cause severe and permanent damage to the digestive tract. Causes gastrointestinal tract burns. May cause perforation of the digestive tract. The toxicological properties of this substance have not been fully investigated. May cause systemic effects.
Inhalation:
Causes chemical burns to the respiratory tract. The toxicological properties of this substance have not been fully investigated. Aspiration may lead to pulmonary edema. May cause systemic effects.
Chronic:
Effects may be delayed.

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SECTION 4 - FIRST AID MEASURES
Eyes:
Get medical aid immediately. Do NOT allow victim to rub eyes or keep eyes closed. Extensive irrigation with water is required (at least 30 minutes).
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Destroy contaminated shoes.
Ingestion:
Do not induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
Notes to Physician:

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SECTION 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Do NOT get water inside containers. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

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SECTION 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions. Provide ventilation. Do not get water inside containers.

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SECTION 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Do not allow contact with water. Discard contaminated shoes. Keep from contact with moist air and steam.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Corrosives area. Store protected from moisture.

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SECTION 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 134535-29-8: Personal Protective Equipment
Eyes:
Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

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SECTION 9 - PHYSICAL AND CHEMICAL PROPERTIES
Physical State: Solid
Color: almost white
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 172 - 176 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: soluble in toluene, dme
Specific Gravity/Density:
Molecular Formula: C4H10Cl4MoO2
Molecular Weight: 327.86

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SECTION 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, dust generation, moisture, excess heat.
Incompatibilities with Other Materials:
Moisture, strong bases, strong acids, strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, oxides of molybdenum, oxides of chlorine.
Hazardous Polymerization: Has not been reported

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SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 134535-29-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Molybdenum Tetrachloride Dimethoxyethane Complex - Not listed by ACGIH, IARC, or NTP.

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SECTION 12 - ECOLOGICAL INFORMATION

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SECTION 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations.

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SECTION 14 - TRANSPORT INFORMATION IATA
Shipping Name: CORROSIVE SOLID, N.O.S.
Hazard Class: 8
UN Number: 1759
Packing Group: III IMO
Shipping Name: CORROSIVE SOLID, N.O.S.
Hazard Class: 8
UN Number: 1759
Packing Group: III RID/ADR
Shipping Name: CORROSIVE SOLID, N.O.S.
Hazard Class: 8
UN Number: 1759
Packing group: III

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SECTION 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
S 25 Avoid contact with eyes. S 28A After contact with skin, wash immediately with plenty of water. S 36/37/39 Wear suitable protective clothing, gloves and eye/face protection. S 37 Wear suitable gloves. S 45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). WGK (Water Danger/Protection) CAS# 134535-29-8: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 134535-29-8 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 134535-29-8 is not listed on the TSCA inventory. It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
MSDS Creation Date: 4/05/1997 Revision #6 Date: 3/18/2003 The information above is believed to be accurate and represents the best information currently available to us. However, we make no warranty of merchantability or any other warranty, express or implied, with respect to such information, and we assume no liability resulting from its use. Users should make their own investigations to determine the suitability of the information for their particular purposes. In no way shall the company be liable for any claims, losses, or damages of any third party or for lost profits or any special, indirect, incidental, consequential or exemplary damages, howsoever arising, even if the company has been advised of the possibility of such damages.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  乙二醇二甲醚 、 二甲氧基乙烷四氯合钼 在 Sn 作用下， 以 乙二醇二甲醚 为溶剂， 以94%的产率得到
  参考文献：
  名称：

  Gilbert, Thomas M.; Landes, Arden M.; Rogers, Robin D., Inorganic Chemistry, 1992, vol. 31, # 16, p. 3438 - 3444

  摘要：

  DOI：
• 作为产物：
  描述：

  乙二醇二甲醚 、 钼,二(乙酰腈)四氯- 以 乙二醇二甲醚 为溶剂， 以95%的产率得到二甲氧基乙烷四氯合钼
  参考文献：
  名称：

  Gilbert, Thomas M.; Landes, Arden M.; Rogers, Robin D., Inorganic Chemistry, 1992, vol. 31, # 16, p. 3438 - 3444

  摘要：

  DOI：

文献信息

• Synthesis and characterization of new paramagnetic tetraaryl derivatives of chromium and molybdenum
  作者：Pablo J. Alonso、Juan Forniés、Ma Angeles García-Monforte、Antonio Martín、Babil Menjón、Conrado Rillo

  DOI：10.1016/j.jorganchem.2007.03.028

  日期：2007.7

  The low-temperature reaction of [CrCl3(thf)3] with LiC6H3Cl2-2,6 yields the organochromium(III) compound [Li(thf)4][CrIII(C6H3Cl2-2,6)4] (1) in 48% yield. The homoleptic, anionic species [CrIII(C6H3Cl2-2,6)4]− is electrochemically related to the neutral one [CrIV(C6H3Cl2-2,6)4] (2) through a reversible one-electron exchange process (E1/2 = 0.16 V, ΔEp = 0.09 V, ipa/ipc = 1.18). Compound 2 was isolated

  的低温反应率[CrCl 3（THF）3 ]与LIC 6 ħ 3氯2 -2,6收率有机铬（III）化合物[李（THF）4 ] [铬III（C 6 H ^ 3氯2 - 2,6）4 ]（1），产率为48％。均相的阴离子物质[Cr III（C 6 H 3 Cl 2 -2,6）4 ] -与中性的一种[Cr IV（C 6 H 3 Cl 2）-2,6）4 ]（2）通过可逆的单电子交换过程（E 1/2  = 0.16 V，ΔE p  = 0.09 V，i pa / i pc  = 1.18）。通过用[N（C 6 H 4 Br-4）3 ] [SbCl 6 ]对1进行化学氧化，以74％的产率分离出化合物2。试图通过[CrCl 3（thf）的直接芳基化制备盐[NBu 4 ] [Cr III（C 6 Cl 5）4 ]（4）3 ]与LIC 6氯5在[NBU存在4 ]溴，得到有机铬（II）盐[NBU 4 ] 2 [CR
• “MoCl₃(dme)” Revisited: Improved Synthesis, Characterization, and X-ray and Electronic Structures
  作者：Thomas E. Shaw、Timothy J. Diethrich、Brian L. Scott、Thomas M. Gilbert、Alfred P. Sattelberger、Titel Jurca

  DOI：10.1021/acs.inorgchem.1c01398

  日期：2021.8.16

  been obscure for more than 50 years. In search of a convenient, large-scale synthesis, we have found that trans-MoCl4(Et2O)2 dissolved in dme can be cleanly reduced with dimethylphenylsilane, Me2PhSiH, to provide khaki Mo2Cl6(dme)2 in ∼90% yield. If the reduction is performed on a small scale, single crystals suitable for X-ray crystallography can be obtained. Two different crystal morphologies were identified

  “MoCl 3 (dme)”（dme = 1,2-二甲氧基乙烷）是中价钼化学的重要前体，特别是对于 Mo 2 X 6类型的三重 Mo-Mo 键合化合物（X = 大体积阴离子配体）。然而，50 多年来，它的确切结构特性一直是模糊的。为了寻求方便的大规模合成，我们发现溶解在 dme中的反式MoCl 4 (Et 2 O) 2可以用二甲基苯基硅烷 Me 2 PhSiH彻底还原，以提供卡其色 Mo 2 Cl 6 (dme) 2约 90% 的产率。如果以小规模进行还原，可以获得适用于 X 射线晶体学的单晶。确定了两种不同的晶体形态，每种都属于P 2 1 / n空间群，但晶胞常数略有不同。每种形式的精制结构是一个共享边缘的双八面体，具有整体C i对称性和 2.8 Å 数量级的金属-金属分离。根据 Gouy 方法和 SQUID 磁力测定法确定，散装材料是抗磁性的。密度泛函理论计算表明 σ 2 π 2 δ*
• Synthesis, characterization, X-ray and electronic structures of diethyl ether and 1,2-dimethoxyethane adducts of molybdenum(<scp>iv</scp>) chloride and tungsten(<scp>iv</scp>) chloride
  作者：Thomas E. Shaw、Timothy J. Diethrich、Charlotte L. Stern、Brian L. Scott、Titel Jurca、Thomas M. Gilbert、Alfred P. Sattelberger

  DOI：10.1039/d2dt00787h

  日期：——

  MoCl4(dme) and WCl4(dme) were developed, and X-ray diffraction data were obtained and analysed. The magnetic properties of the dme adducts were probed, both with Gouy and SQUID magnetometry measurements. The magnetic moment of WCl4(dme) was smaller than that of MoCl4(dme), an observation that we attribute to the greater spin–orbit coupling of tungsten. Electronic structure studies were also conducted to probe

  氯化钼 ( IV ) 和氯化钨 ( IV )的双 (乙醚) 和 1,2-二甲氧基乙烷 (dme) 加合物是各种合成无机和有机金属反应的有价值的起始材料。尽管这些 6 坐标配合物具有广泛的用途和广泛的用途，但它们的合成仍然未经优化，并且在超过 30 年之后它们的表征不完整。在探索反式-MoCl 4 (OEt 2 ) 2的配体交换行为时，我们获得了这种红橙色配合物的单晶，随后将其结构参数与最近报道的反式-WCl 4 (OEt 2) 2。开发了 MoCl 4 (dme) 和 WCl 4 (dme) 的显着改进程序，并获得并分析了 X 射线衍射数据。用 Gouy 和 SQUID 磁强计测量了二甲醚加合物的磁性。WCl 4 (dme)的磁矩小于 MoCl 4 (dme)，我们将这一观察结果归因于钨的更大自旋轨道耦合。还进行了电子结构研究以探测二乙醚加合物的优先反式构型并确定二甲醚加合物的紫外-可见光谱。
• Chernega, Alexander; Cook, Jessica; Green, Malcolm L. H., Journal of the Chemical Society, Dalton Transactions, 1997, # 18, p. 3225 - 3243
  作者：Chernega, Alexander、Cook, Jessica、Green, Malcolm L. H.、Labella, Luca、Simpson, Stephen J.、Souter, Joanne、Stephens, Adam H. H.

  DOI：——

  日期：——
• Syntheses and reactions of ansa-[2,2-bis(η-cyclopentadienyl)propane]-tungsten and -molybdenum compounds
  作者：Luca Labella、Alexander Chernega、Malcolm L. H. Green

  DOI：10.1039/dt9950000395

  日期：——

  Reaction between [MCl(4)(dme)] (M = W or Mo; dme = 1,2-dimethoxyethane) with Li-2[C(5)H(4)CMe(2)C(5)H(4)] gave the ansa-bridged metallocene dichlorides [M(eta-C5H4)CMe(2)(eta-C5H4)}Cl-2] (M = W or Mo). Treatment of these with LiAIH(4) or ZnMe(2) gave respectively the dihydrides [M(eta-C5H4)CMe(2)(eta-C5H4)}H-2] (M = W or Mo) and the dimethyl derivatives [M(eta-C5H4)CMe(2)(eta-C5H4)}Me(2)] (M = W or Mo). Treatment of [W(eta-C5H4)CMe(2)(eta-C5H4)}Me(2)] with HX (X = PhCO(2) or NH3I) gave [Weta-C5H4)CMe(2)-(eta- C5H4)}Me(Y)] with Y = PhCO(2) or I, respectively. Both of these react with Na[AIH(2)(OCH(2)CH(2)OMe)(2)] giving the methylhydride [W(eta-C5H4)CMe(2)(eta-C5H4)}Me(H)]. The latter is thermally stable in refluxing benzene. Ultraviolet photolysis of [Mo(eta-C5H4)CMe(2)(eta-C5H4)}H-2] in benzene gave the phenylhydride derivative [Mo(eta-C5H4)CMe(2)(eta-C5H4)}Ph(H)]; the corresponding tungsten derivative [W(eta-C5H4) -CMe(2)(eta-C5H4)}H-2] is not photosensitive. The crystal structures of [W(eta-C5H4)CMe(2)(eta-C5H4)}Cl-2], [W(eta-C5H4)CMe(2)(eta-C5H4)}H-2], (two modifications) and [Mo(eta-C5H4)CMe(2)(eta-C5H4)}H-2] have been determined by X-ray diffraction. The ansa-bridged bis(eta-cyclopentadienyl) compounds show marked differences in reactivity compared to non-ansa analogues and this is discussed in terms of the modifications of the electronic structure as a consequence of the ansa bridge.