双(甲基环戊二烯)二氯化锆

双(甲基环戊二烯)二氯化锆 基本信息
CAS号 12109-71-6 分子式 C12H14Cl2Zr
分子量 320.37000 精确质量  317.95200
PSA  0.00000 LogP  4.20220

基本信息 展开↓

CAS号:
12109-71-6
3D弹球模型:
立即前往扯扯看
分子式:
C12H14Cl2Zr
分子量:
320.37000
中文名称:
双(甲基环戊二烯)二氯化锆
英文名称:
Bis(methylcyclopentadienyl)zirconium dichloride
中文别名:
双(甲基环戊二烯)二氯化锆;
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:
Bis(methylcyclopentadienyl)zirconium dichloride;
(MeCp)2ZrCl2;
Bis(methylcyclopentadienyl)zirkoniumdichlorid;
(CH3Cp)2ZrCl2;
BIS(METHYLCYCLOPENTADIENYL)ZIRCONIUM(IV) DICHLORIDE
精确分子量/精确质量:
317.95200
极性分子表面积/PSA:
0.00000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
贝尔斯坦号/MDL:
MFCD00672106
InChI:
The Key: ZUYRMIQFRZTNFG-UHFFFAOYSA-L

物化性质展开↓

外观与性状:
灰色片
熔点:
180-184ºC
沸点:
85.8ºC at 760 mmHg
存储条件/存储方法:

常温密闭避光,通风干燥处

稳定性相关:

常温常压下稳定

避免的物料 氧化物  水分/潮湿

其它信息:

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(ºC1mmHg):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

安全信息展开↓

包装等级:
III
海关代码:
2903890090
危险类别码:
R34
安全说明:
S26-S36/37/39-S45
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
S27:立刻除去所有污染衣物。
S45:出现意外或者感到不适,立刻到医生那里寻求帮助(最好带去产品容器标签)。
:
危险标志:
C:Corrosive

合成路线查看所有的合成路线

  • 96-39-9

    甲基环戊二烯

  • +

  • 10026-11-6

    氯化锆(IV)

  • ~91%

  • 12109-71-6

    双(甲基环戊二烯)二氯化锆

  • 55562-83-9

    sodium,5-methylcyclopenta-1,3-diene

  • +

  • 10026-11-6

    氯化锆(IV)

  • ~72%

  • 12109-71-6

    双(甲基环戊二烯)二氯化锆

  • 945212-04-4

    945212-04-4

  • +

  • 10026-11-6

    氯化锆(IV)

  • ~68%

  • 12109-71-6

    双(甲基环戊二烯)二氯化锆

毒理性展开↓

生态数据:

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。

MSDS 展开↓

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

海关数据查看详细

中国海关编码:2903890090

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
摘要/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%

分子结构与计算化学数据展开↓

分子结构数据


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

计算化学数据


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

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