四氯双(四氢呋喃)合锆(IV)

四氯双(四氢呋喃)合锆(IV) 基本信息
CAS号 21959-01-3 分子式 C8H16Cl4O2Zr
分子量 377.24700 精确质量  373.89500
PSA  18.46000 LogP  4.35160

等价的CAS号:

21959-01-3,125410-70-0,125410-71-1

基本信息 展开↓

CAS号:
21959-01-3
3D弹球模型:
立即前往扯扯看
分子式:
C8H16Cl4O2Zr
分子量:
377.24700
中文名称:
四氯双(四氢呋喃)合锆(IV)
英文名称:
oxolane,tetrachlorozirconium
中文别名:
四氯双(四氢呋喃)合锆(IV);
Zirconium(IV) chloride鮐etrahydrofuran complex;
双(四氢呋喃)四氯化锆(IV);
四氯双(四氢呋喃)合锆
英文别名:
oxolane,tetrachlorozirconium;
ZrCl4(tetrahydrofuran)2;
Tetrachlorobis(tetrahydrofuran)zirconium(IV);
Tetrachlorobis(tetrahydrofuran)zirconium;
Zirconium(IV) chloride tetrahydrofuran complex (1:2);
[ZrCl4(thf)2];
Zirconium tetrachloride tetrahydrofuran complex;
tetrachlorobis(tetrahydrofuran)zirconium(IV);
tetrachlorobis(tetrahydrofuran-O)zirconium(IV)
精确分子量/精确质量:
373.89500
极性分子表面积/PSA:
18.46000
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:
MFCD00145367
PubChem:
24864163
InChI:
The Key: VDJJKYYENYIHFF-UHFFFAOYSA-J

生产制备方法及用途展开↓

合成制备方法



用途



物化性质展开↓

熔点:
175-177 °C(lit.)
蒸汽压:
152mmHg at 25°C
存储条件/存储方法:

0-6
稳定性相关:

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

其它信息:

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


安全信息展开↓

包装等级:
II
风险类别:
8
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R20/21/22;R34
安全说明:
S22-S26-S36/37/39-S45
安全标志:
S22:不要吸入粉尘。
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
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

  • 109-99-9

    四氢呋喃

  • +

  • 388123-83-9

    388123-83-9

  • 21959-01-3

    四氯双(四氢呋喃)合锆(IV)

  • 125329-94-4

    125329-94-4

  • 21959-01-3

    四氯双(四氢呋喃)合锆(IV)

  • +

  • 96539-63-8

    96539-63-8

  • 109-99-9

    四氢呋喃

  • +

  • 10026-11-6

    氯化锆(IV)

  • 21959-01-3

    四氯双(四氢呋喃)合锆(IV)

毒理性展开↓

毒理学数据:


生态数据:

对水是稍微危害的,若无政府许可,勿将材料排入周围环境。

MSDS 展开↓

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

分子结构与计算化学数据展开↓

分子结构数据



计算化学数据


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

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