tetra(benzyl)hafnium | 31406-67-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: tetra(benzyl)hafnium
• 英文别名: HfBn₄；Hf(CH₂Ph)₄；hafnium tetrabenzyl；tetrabenzylhafnium(IV)
• CAS: 31406-67-4
• 化学式: C₂₈H₂₈Hf
• 分子量: 543.02
• InChiKey: MIZZOAWRYQTTDS-UHFFFAOYSA-N

物化性质

• 熔点：
  99-104 °C(lit.)
• 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)：
  7.49
• 重原子数：
  29
• 可旋转键数：
  0
• 环数：
  4.0
• 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

安全信息

• TSCA：
  No
• 安全说明：
  S15,S16,S36
• 危险类别码：
  R10
• 海关编码：
  2902909090
• 危险品运输编号：
  UN 3178
• 储存条件：
  存放在5°C阴凉干燥处。

SDS

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Section 1: Product Identification
Chemical Name: Tetrabenzylhafnium, min. 97%
CAS Registry Number: 31406-67-4
Formula: C28H28Hf
EINECS Number: none
Chemical Family: organometallic complex
Synonym: none

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Section 2: Composition and Information on Ingredients
Ingredient CAS Number Percent ACGIH (TWA) OSHA (PEL)
Title compound 31406-67-4 100% 0.5mg/m3 (as Hf) 0.5mg/m3 (as Hf)

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Section 3: Hazards Identification
Emergency Overview: May be irritating to skin, eyes and respiratory tract. May be harmful if swallowed.
Primary Routes of Exposure: Ingestion, inhalation
Eye Contact: May cause slight to mild irritation of the eyes.
Skin Contact: May cause slight to mild irritation of the skin.
Inhalation: May be irritating to the nose, mucous membranes and respiratory tract.
Ingestion: No information is available on the physiological effects of ingestion.
Acute Health Affects: May be irritating to skin, eyes, mucous membranes, and respiratory tract.
Chronic Health Affects: No information available 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: none
Autoignition Temperature: none
Explosion Limits: none
Extinguishing Medium: carbon dioxide, dry powder or foam
Fire fighters should be equipped with a NIOSH approved positive pressure self-contained breathing apparatus
Special Fire Fighting Procedures:
and full protective clothing.
Hazardous Combustion and If involved in a fire this material may emit toxic fumes of carbon monoxide, and hafnium oxide.
Decomposion Products:
Unusual Fire or Explosion Hazards: Flammable solid. Evolves flammable tetramethylcyclopentadiene with water.

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SECTION 6: Accidental Release Measures
Keep away from sources of ignition. Small spills can be mixed with vermiculite, sodium carbonate or other
Spill and Leak Procedures:
suitable noncombustible adsorbent and swept up. Do not raise dust.

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SECTION 7: Handling and Storage
Store the material under an inert atmosphere of nitrogen or argon in a tightly sealed container. Store cold to
Handling and Storage:
maximize shelf life.

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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 under an inert atmosphere of nitrogen or argon.
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 under an inert atmosphere of nitrogen or argon.
Additional Protection: No additional protection required.

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SECTION 9: Physical and Chemical Properties
Color and Form: yellow pwdr.
Molecular Weight: 543.01
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, moisture and heat sensitive (store cold)
Hazardous Polymerization: no hazardous polymerization
Conditions to Avoid: heat and ignition sources, air, and moisture
Incompatibility: strong oxidizing agents, mineral acids and halogens.
Decomposition Products: hafnium oxide, carbon monoxide, carbon dioxide and 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 federal, state, and local regulations.

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SECTION 14: Transportation
Shipping Name (CFR): Flammable solids, Inorganic, N.O.S.
Hazard Class (CFR): 4.1
Additional Hazard Class (CFR): NA
Packaging Group (CFR): II
UN ID Number (CFR): UN# 3178
Shipping Name (IATA): Flammable solid, Inorganic, N.O.S.
Hazard Class (IATA): 4.1
Additional Hazard Class (IATA): NA
Packaging Group (IATA): II
UN ID Number (IATA): UN# 3178

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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：

  tetra(benzyl)hafnium 以 甲苯 为溶剂， 生成
  参考文献：
  名称：

  METAL-LIGAND COMPLEX, OLEFIN POLYMERIZATION CATALYST DERIVED THEREFROM, AND OLEFIN POLYMERIZATION METHOD UTILIZING THE CATALYST

  摘要：

  一个金属-配体配合物具有公式(I)：其中J、L、M、R1、R2、R3、R4、X、p、q和r在此处定义。该金属-配体配合物作为烯烃聚合的催化剂或催化剂前体是有用的。

  公开号：

  US20160311837A1
• 作为产物：
  描述：

  苄基溴化镁 、 氯化铪 以 乙醚 为溶剂， 反应 2.0h， 以60.9%的产率得到tetra(benzyl)hafnium
  参考文献：
  名称：

  Synthesis of benzyl-metal compounds

  摘要：

  本发明揭示了制备双苯基、三苯基或四苯基金属化合物的方法，包括将金属盐与(benzyl)nMgX2-n化合物在小于30°C的温度下结合，其中n为1或2，X为单负离子基团；其中结合发生在包括0至80％乙醚稀释剂和选自芳香稀释剂、卤代烃稀释剂及其混合物的稀释剂混合物中。该方法的特点在于使用不同的稀释剂混合物，并且在某些情况下，几乎没有乙醚稀释剂。

  公开号：

  US07067686B1

文献信息

• Zirconium and hafnium complexes based on 2-aryl-8-arylaminoquinoline ligands: synthesis, molecular structure, and catalytic performance in ethylene copolymerization
  作者：Ilya E. Nifant'ev、Pavel V. Ivchenko、Vladimir V. Bagrov、Sandor M. Nagy、Linda N. Winslow、Jean A. Merrick-Mack、Shahram Mihan、Andrei V. Churakov

  DOI：10.1039/c2dt31856c

  日期：——

  A general and efficient approach toward new zirconium and hafnium complexes based on 2-aryl-8-arylaminoquinoline ligands was developed. These precursors, when activated with MAO/borate cocatalyst and supported on silica, result in active olefin polymerization catalysts. The ethylene copolymers produced under industrially relevant conditions show very high molecular weights and unique microstructures defined by the multisite nature of the catalyst. A site-diversification mechanism is proposed to explain the presence of at least five individual sites, as deduced from 3D-TREF analysis of ethylene–butene copolymers.

  基于2-芳基-8-芳胺基喹啉配体的新型锆和铪配合物的一般性高效合成方法得以开发。这些前体物质在MAO/硼酸盐共催化剂活化并负载于硅胶上后，转化为活性烯烃聚合催化剂。在工业相关条件下制备的乙烯共聚物展现出极高的分子量和由催化剂多活性位点特性所定义的独特微观结构。针对乙烯-丁烯共聚物的三维TREF分析所推断出的至少五个独立位点的存在，研究提出了一个位点多样化机制以作解释。
• 신규한 리간드 화합물 및 이를 포함하는 전이금속 화합물
  申请人：LG CHEM, LTD. 주식회사 엘지화학(120010134563) Corp. No ▼ 110111-2207995BRN ▼107-81-98139

  公开号：KR101705850B1

  公开（公告）日：2017-02-10

  본 발명은 신규한 리간드 화합물 및 전이금속 화합물에 관한 것이다. 본 발명에 따른 신규한 구조의 리간드 화합물 및 이를 포함하는 전이금속 화합물은 올레핀계 중합체를 제조하는데 있어 중합 반응 촉매로 사용될 수 있다.

  本发明涉及一种新型的磷腚化合物及过渡金属化合物。根据本发明，具有新颖结构的磷腚化合物及其包含的过渡金属化合物可以用于制造奥雷芬系聚合物中的聚合反应催化剂。
• 신규한 리간드 화합물 및 전이금속 화합물의 제조 방법
  申请人：LG CHEM, LTD. 주식회사 엘지화학(120010134563) Corp. No ▼ 110111-2207995BRN ▼107-81-98139

  公开号：KR20180022136A

  公开（公告）日：2018-03-06

  본 발명은 신규 리간드 화합물 및 이를 포함하는 전이금속 화합물의 제조 방법에 관한 것으로, 본 발명에 따라 올리핀계 중합체를 제조하는데 있어 중합 반응 촉매로 사용될 수 있는 전이금속 화합물을 제조할 수 있다.

  本发明涉及一种新型的磷腈化合物及其包括在内的过渡金属化合物的制造方法，根据本发明，可以制造出在制造醇磷腈聚合物时可用作聚合反应催化剂的过渡金属化合物。
• Bridged bi-aromatic ligands, catalysts, processes for polymerizing and polymers therefrom
  申请人：Symyx Technologies, Inc.

  公开号：US20040014950A1

  公开（公告）日：2004-01-22

  New ligands and compositions with bridged bis-aromatic ligands are disclosed that catalyze the polymerization of monomers into polymers. These catalysts with metal centers have high performance characteristics, including higher comonomer incorporation into ethylene/olefin copolymers, where such olefins are for example, 1-octene, propylene or styrene. The catalysts also polymerize propylene into isotactic polypropylene.

  新的配体和含有桥联双芳香配体的组合物被披露，这些配体催化单体聚合成聚合物。这些带有金属中心的催化剂具有高性能特征，包括更高的共聚单体并入乙烯/烯烃共聚物中，其中这些烯烃例如为1-辛烯、丙烯或苯乙烯。这些催化剂还将丙烯聚合成同构聚丙烯。
• Oxidant-Free Direct Coupling of Internal Alkynes and 2-Alkylpyridine via Double C−H Activations by Alkylhafnium Complexes
  作者：Hayato Tsurugi、Koji Yamamoto、Kazushi Mashima

  DOI：10.1021/ja1100118

  日期：2011.2.2

  oxidant-free direct cross-coupling reaction of 2,6-lutidine and internal alkynes leading to five-membered carbocyclic compounds mediated by nonmetallocene cationic hafnium alkyl complexes. Mechanistic studies of the coupling reaction showed that the reaction begins with C(sp(3))-H bond activation via σ-bond metathesis, after which the coordinatively unsaturated hafnium center mediates further insertion

  我们开发了一种新型的 2,6-二甲基吡啶和内部炔烃的无氧化剂直接交叉偶联反应，导致由非茂金属阳离子铪烷基配合物介导的五元碳环化合物。偶联反应的机理研究表明，反应开始于 C(sp(3))-H 键通过 σ-键复分解活化，之后配位不饱和铪中心介导进一步的插入、迁移和 β-H 消除反应，得到从容易获得的底物制备五元碳环。