21959-01-3

• 常用中文名：四氯双(四氢呋喃)锆
• 常用英文名：Tetrachlorobis(tetrahydrofuran)zirconium
• CAS号：21959-01-3
• 分子式：C₈H₁₆Cl₄O₂Zr
• 分子量：377.24700
• 发布时间：2018-03-01 08:00:00
• 更新时间：2024-01-07 11:10:10

• 
  

名称

• 中文名: 四氯双(四氢呋喃)合锆(IV)
• 英文名: oxolane,tetrachlorozirconium
• 中文别名: 双(四氢呋喃)四氯化锆(IV); 四氯双(四氢呋喃)合锆
• 英文别名: ZrCl4(tetrahydrofuran)2; [ZrCl4(thf)2]; Zirconium(IV) chloride tetrahydrofuran complex (1:2); tetrachlorobis(tetrahydrofuran-O)zirconium(IV); MFCD00145367; Tetrachlorobis(tetrahydrofuran)zirconium; Tetrachlorobis(tetrahydrofuran)zirconium(IV); Zirconium tetrachloride tetrahydrofuran complex

物化性质

• 熔点: 175-177 °C(lit.)
• 分子式: C₈H₁₆Cl₄O₂Zr
• 分子量: 377.24700
• 精确质量: 373.89500
• PSA: 18.46000
• LogP: 4.35160
• 外观性状: crystal，white
• 蒸汽压: 152mmHg at 25°C
• 储存条件: 0-6 ℃

  干性的保护气体下处置，

  保持贮藏器密封

  放入紧密的贮藏器内，储存在阴凉，干燥的地方

• 稳定性:

  如果遵照规格使用和储存则不会分解

  避免接触氧化物，水分
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:0

  3.氢键受体数量:2

  4.可旋转化学键数量:0

  5.互变异构体数量:无

  6.拓扑分子极性表面积18.5

  7.重原子数量:15

  8.表面电荷:0

  9.复杂度:41.9

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:3

• 更多:

  1.性状：未确定

  2.密度（g/mL,25/4℃）：未确定

  3.相对蒸汽密度（g/mL,空气=1）：未确定

  4.熔点（ºC）：175-177

  5.沸点（ºC,常压）：未确定

  6.沸点（ºC,5.2kPa）：未确定

  7.折射率：未确定

  8.闪点（ºC）：未确定

  9.比旋光度（º）：未确定

  10.自燃点或引燃温度（ºC）：未确定

  11.蒸气压（kPa,25ºC）：未确定

  12.饱和蒸气压（kPa,60ºC）：未确定

  13.燃烧热（KJ/mol）：未确定

  14.临界温度（ºC）：未确定

  15.临界压力（KPa）：未确定

  16.油水（辛醇/水）分配系数的对数值：未确定

  17.爆炸上限（%,V/V）：未确定

  18.爆炸下限（%,V/V）：未确定

  19.溶解性：未确定

MSDS

Name: Tetrachlorobis(tetrahydrofuran)zirconium Material Safety Data Sheet Synonym: Zirconium(IV) chloride tetrahydrofura CAS: 21959-01-3 Section 1 - Chemical Product MSDS Name:Tetrachlorobis(tetrahydrofuran)zirconium Material Safety Data Sheet Synonym:Zirconium(IV) chloride tetrahydrofura Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 21959-01-3 Tetrachlorobis(tetrahydrofuran)zirconi unlisted Hazard Symbols: C Risk Phrases: 20/21/22 34 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Harmful by inhalation, in contact with skin and if swallowed. Causes burns.Air sensitive.Moisture sensitive. Potential Health Effects Eye: Causes eye burns. Skin: Harmful if absorbed through the skin. Causes skin burns. Ingestion: Harmful if swallowed. Causes gastrointestinal tract burns. Inhalation: Harmful if inhaled. Causes chemical burns to the respiratory tract. Chronic: Not available. Section 4 - FIRST AID MEASURES Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately. Skin: Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Get medical aid immediately. Wash mouth out with water. 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. Get medical aid. Notes to Physician: Treat symptomatically and supportively. 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. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. 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. Section 7 - HANDLING and STORAGE Handling: Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood. Storage: Store in a cool, dry place. Store in a tightly closed container. Corrosives area. Store under nitrogen. 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# 21959-01-3: Personal Protective Equipment Eyes: Not available. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Powder Color: white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 175 - 177 deg C Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Not available. Solubility in water: Specific Gravity/Density: Molecular Formula: C8H16Cl4O2Zr Molecular Weight: 377.1428 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials, exposure to air, exposure to moist air or water. Incompatibilities with Other Materials: Strong oxidizing agents, alcohols, amines, acids. Hazardous Decomposition Products: Hydrogen chloride, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 21959-01-3 unlisted. LD50/LC50: Not available. Carcinogenicity: Tetrachlorobis(tetrahydrofuran)zirconium - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: C Risk Phrases: R 20/21/22 Harmful by inhalation, in contact with skin and if swallowed. R 34 Causes burns. Safety Phrases: S 25 Avoid contact with eyes. S 36/37/39 Wear suitable protective clothing, gloves and eye/face protection. 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# 21959-01-3: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 21959-01-3 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 21959-01-3 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 生态学数据: 对水是稍微危害的，若无政府许可，勿将材料排入周围环境。

安全

• 符号: GHS02, GHS05, GHS07
• 信号词: Danger
• 危害声明: H228-H302 + H312 + H332-H314
• 警示性声明: P210-P280-P305 + P351 + P338-P310
• 个人防护装备: Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges
• 危害码 (欧洲): C:Corrosive;
• 风险声明 (欧洲): R20/21/22;R34
• 安全声明 (欧洲): S22-S26-S36/37/39-S45
• 危险品运输编码: UN 2925 4.1/PG 2
• WGK德国: 3
• 包装等级: II
• 危险类别: 8

合成路线

109-99-9 10026-11-6 ~% 21959-01-3

文献：WO2004/37839 A1, ; Page/Page column 27 ;

125329-94-4 ~% 21959-01-3 96539-63-8

文献：Inorganic Chemistry, , vol. 29, p. 955 - 958

109-99-9 388123-83-9 ~% 21959-01-3

文献：Journal of the Chemical Society. Dalton Transactions, , # 19 p. 2844 - 2849

上下游产品

上游产品  2
109-99-9 10026-11-6
下游产品  3
113040-61-2 12109-71-6 165688-64-2

制备