二氯二茂钼

二氯二茂钼 基本信息
CAS号 12184-22-4 分子式 C10H10Cl2Mo
分子量 297.05200 精确质量  297.92100
PSA  0.00000 LogP  3.42200

基本信息 展开↓

CAS号:
12184-22-4
3D弹球模型:
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分子式:
C10H10Cl2Mo
分子量:
297.05200
中文名称:
二氯二茂钼
英文名称:
BIS(CYCLOPENTADIENYL)MOLYBDENUM DICHLORIDE
中文别名:
二氯二茂钼;
双(环戊二烯)二氯化钼(IV);
双(环戊二烯)二氯化钼;
二氯化双(环戊二烯基)钼
英文别名:
BIS(CYCLOPENTADIENYL)MOLYBDENUM DICHLORIDE;
BIS(CYCLOPENTADIENYL)MOLYBDENUM(IV) DICHLORIDE;
Bis(cyclopentadienyl)molybdenumdichloride;
Dicyclopentadienylmolybdenium dichloride;
Bis(cyclopentadienyl)molybdenum dichloride;
Bis(cyclopentadienyl)molybdenium(IV) dichloride;
MOLYBDOCENE DICHLORIDE
精确分子量/精确质量:
297.92100
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:
MFCD00009948
PubChem:
24855528
InChI:
The Key: KJXKHGDHXCOQTK-UHFFFAOYSA-L

生产制备方法及用途展开↓

制备方法


由五氯化钼与环戊二烯基钠在硼氢化钠作用下反应制得。

合成制备方法


 由五氯化钼与环戊二烯基钠在硼氢化钠作用下反应制得。

用途简介


是合成有机钼化合物的中间体。

用途


    是合成有机钼化合物的中间体。

物化性质展开↓

外观与性状:
暗绿色至黑色粉末或片
沸点:
41.5ºC at 760mmHg
蒸汽压:
418mmHg at 25°C
存储条件/存储方法:

能短时保存(在惰气中避光)

稳定性相关:

常温常压下稳定

避免的物料 氧化物 水分/潮湿 空气

其它信息:

1.       性状:黄色晶体

2.       密度(g/mL,20):未确定

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):183-185

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
危险类别码:
R36/37/38
安全说明:
S26-S37/39
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。
:
危险标志:
Xi:Irritant;

合成路线查看所有的合成路线

  • 14221-06-8

    乙酸钼(II)二聚体

  • ~44%

  • 12184-22-4

    二氯二茂钼

  • 61112-81-0

    61112-81-0

  • 12184-22-4

    二氯二茂钼

  • 66705-66-6

    {(η5-C5H5)2(μ-η1,η5-C5H4)2Mo2}

  • 12184-22-4

    二氯二茂钼

毒理性展开↓

毒理学数据:

主要的刺激性影响:

在皮肤上面:刺激皮肤和粘膜

在眼睛上面:刺激的影响

致敏作用:没有已知的敏化现象

生态数据:

通常对水是不危害的,若无政府许可,勿将材料排入周围环境。

MSDS 展开↓

Name: Molybdocene Dichloride Material Safety Data Sheet
Synonym: Bis(Cyclopentadienyl)molybdenum Dichloride
CAS: 12184-22-4
Section 1 - Chemical Product   MSDS Name:Molybdocene Dichloride Material Safety Data Sheet
Synonym:Bis(Cyclopentadienyl)molybdenum Dichloride

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
12184-22-4 Molybdocene Dichloride ca 100 unlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.The toxicological properties of this material have not been fully investigated.Air sensitive.Moisture sensitive.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Can produce delayed pulmonary edema.
Chronic:
Effects may be delayed.

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.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
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. 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:
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. Place under an inert atmosphere. Do not get water inside containers.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Handle under an inert atmosphere. Store protected from air. Do not allow contact with water. 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# 12184-22-4: United States OSHA: 15 mg/m3 TWA (total dust) (listed under Molybdenum).
Malaysia: (listed as molybdenum): 10 mg/m3 TWA Netherlands: (listed as molybdenum): 5 mg/m3 MAC Russia: (listed as molybdenum): 3 mg/m3 TWA Russia: (listed as molybdenum): 0.5 mg/m3 STEL 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: Crystals
Color: black - brown - gray powder
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C10H10Cl2Mo
Molecular Weight: 297.02

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, exposure to air, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Air, moisture, strong oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, oxides of chlorine.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 12184-22-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Molybdocene 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: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 37/39 Wear suitable 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# 12184-22-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 12184-22-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 12184-22-4 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

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:297.921363 Da

8、标称质量:298 Da

9、平均质量:297.0324 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:13

6、   表面电荷:-2

7、   复杂度:71

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:0

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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