12109-71-6

• 常用中文名：双(甲基环戊二烯)二氯化锆
• 常用英文名：Bis(methylcyclopentadienyl)zirconium dichloride
• CAS号：12109-71-6
• 分子式：C₁₂H₁₄Cl₂Zr
• 分子量：320.37000
• 相关类别： 有机原料 有机金属类化合物 有机锆
• 发布时间：2018-03-27 08:00:00
• 更新时间：2024-01-02 09:54:21

名称

• 中文名: 双(甲基环戊二烯)二氯化锆
• 英文名: Bis(methylcyclopentadienyl)zirconium dichloride
• 中文别名: 二(甲基环戊二烯基)二氯化锆; 双(甲基环戊二烯基二氯化锆)
• 英文别名: MFCD00672106; (MeCp)2ZrCl2; (CH3Cp)2ZrCl2; BIS(METHYLCYCLOPENTADIENYL)ZIRCONIUM(IV) DICHLORIDE; Bis(methylcyclopentadienyl)zirkoniumdichlorid

物化性质

• 沸点: 85.8ºC at 760 mmHg
• 熔点: 180-184ºC
• 分子式: C₁₂H₁₄Cl₂Zr
• 分子量: 320.37000
• 精确质量: 317.95200
• LogP: 4.20220
• 外观性状: 灰色片
• 储存条件:

  常温密闭避光，通风干燥处

• 稳定性:

  常温常压下稳定

  避免的物料 氧化物 水分/潮湿

• 分子结构:

  1、摩尔折射率：无可用的

  2、摩尔体积（cm³/mol）：无可用的

  3、等张比容（90.2K）：无可用的

  4、表面张力（dyne/cm）：无可用的

  5、介电常数：无可用的

  6、极化率（10^-24cm³）：无可用的

  7、单一同位素质量：317.951958 Da

  8、标称质量：318 Da

  9、平均质量：320.3696 Da

• 计算化学:

  1、 氢键供体数量：0

  2、 氢键受体数量：2

  3、 可旋转化学键数量：0

  4、 拓扑分子极性表面积（TPSA）：0

  5、 重原子数量：15

  6、 表面电荷：0

  7、 复杂度：265

  8、 同位素原子数量：0

  9、 确定原子立构中心数量： 0

  10、 不确定原子立构中心数量：1

  11、 确定化学键立构中心数量：0

  12、 不确定化学键立构中心数量：0

  13、 共价键单元数量：3

• 更多:

  1. 性状：未确定

  2. 密度（g/mL, 18 ℃ ）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：180.5-184

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC，1mmHg）：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（20ºC）：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: Bis(methylcyclopentadienyl)zirconium dichloride Material Safety Data Sheet Synonym: CAS: 12109-71-6 Section 1 - Chemical Product MSDS Name: Bis(methylcyclopentadienyl)zirconium dichloride Material Safety Data Sheet Synonym: SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 12109-71-6 Bis(methylcyclopentadienyl)zirconium d 100 unlisted Hazard Symbols: C Risk Phrases: 34 SECTION 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Causes burns.The toxicological properties of this material have not been fully investigated.Corrosive.Moisture sensitive.Air sensitive. Potential Health Effects Eye: Causes eye burns. Skin: Causes skin burns. Ingestion: May cause severe and permanent damage to the digestive tract. May cause burns to the digestive tract. Inhalation: May cause severe irritation of the respiratory tract with possible burns. Chronic: No information found. 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 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: 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. SECTION 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Avoid generating dusty conditions. Provide ventilation. Place under an inert atmosphere. Do not get water inside containers. SECTION 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Minimize dust generation and accumulation. Keep container tightly closed. Do not get on skin or in eyes. Do not ingest or inhale. Use with adequate ventilation. Handle under an inert atmosphere. Store protected from air. 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. Do not expose to air. Store protected from moisture. Store under an inert atmosphere. 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# 12109-71-6: United Kingdom, WEL - TWA: (listed as zirconium compounds, n.o.s. mg/m3 TWA (as Zr) United Kingdom, WEL - STEL: (listed as zirconium compounds, n.o.s 10 mg/m3 STEL (as Zr) United States OSHA: 5 mg/m3 TWA (as Zr) (listed under Zirconium compounds, n.o.s.). Belgium - TWA: (listed as zirconium compounds, n.o.s.): 5 mg/m3 V (as Zr) Belgium - STEL: (listed as zirconium compounds, n.o.s.): 10 mg/m3 (as Zr) Malaysia: (listed as zirconium compounds, n.o.s.): 5 mg/m3 TWA (a Zr) Netherlands: (listed as zirconium compounds, n.o.s.): 5 mg/m3 MAC Zr) Spain: (listed as zirconium compounds, n.o.s.): 5 mg/m3 VLA-ED (a Zr) Spain: (listed as zirconium compounds, n.o.s.): 10 mg/m3 VLA-EC ( Zr) 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. SECTION 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Solid Color: Not available. Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 180.5-184 C Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: soluble in toluene Specific Gravity/Density: Molecular Formula: C12H14Cl2Zr Molecular Weight: 320.35 SECTION 10 - STABILITY AND REACTIVITY Chemical Stability: Air sensitive. Moisture sensitive. Conditions to Avoid: Incompatible materials, dust generation, moisture, exposure to air, metals. Incompatibilities with Other Materials: Acids, bases, strong oxidizing agents, chemically active metals, air, moisture. Hazardous Decomposition Products: Hydrogen chloride, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 12109-71-6 unlisted. LD50/LC50: Not available. Carcinogenicity: Bis(methylcyclopentadienyl)zirconium dichloride - 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 34 Causes burns. Safety Phrases: S 24/25 Avoid contact with skin and eyes. S 28A After contact with skin, wash immediately with plenty of water. 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# 12109-71-6: No information available. Canada CAS# 12109-71-6 is listed on Canada's NDSL List. CAS# 12109-71-6 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 12109-71-6 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION MSDS Creation Date: 11/18/1998 Revision #2 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. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 通常对水体是稍微有害的，不要将未稀释或大量产品接触地下水，水道或污水系统，未经政府许可勿将材料排入周围环境。

安全

• 危害码 (欧洲): C:Corrosive
• 风险声明 (欧洲): R34
• 安全声明 (欧洲): S26-S36/37/39-S45
• 危险品运输编码: UN 3261
• WGK德国: 3
• 包装等级: III
• 海关编码: 2903890090

合成路线

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文献：Organometallics, , vol. 8, p. 2892 - 2903

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文献：Organometallics, , vol. 15, # 17 p. 3752 - 3759

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文献：Journal of Organometallic Chemistry, , vol. 692, # 14 p. 3057 - 3064

上下游产品

上游产品  5
55562-83-9 10026-11-6 96-39-9 21959-01-3
1130886-80-4
下游产品  0

海关

海关编码	2903890090
中文概述	2903890090. 其他环烷烃、环烯烃或环萜烯烃的卤化衍生物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:5.5%. 普通关税:30.0%
申报要素	品名, 成分含量, 用途
Summary	2903890090. halogenated derivatives of cyclanic, cyclenic or cyclotherpenic hydrocarbons. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%