四羰基环五二烯基钒

四羰基环五二烯基钒 基本信息
CAS号 12108-04-2 分子式 C9H5O4V
分子量 228.07500 精确质量  227.96300
PSA  0.00000 LogP  0.18950

基本信息 展开↓

CAS号:
12108-04-2
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分子式:
C9H5O4V
分子量:
228.07500
中文名称:
四羰基环五二烯基钒
英文名称:
carbon monoxide,cyclopentane,vanadium
中文别名:
四羰基环五二烯基钒;
四羰基环五二烯基钒, 97+%;
四羰基环戊二烯基钒, 97+%;
四羰基环戊二烯基钒, 98+%
英文别名:
carbon monoxide,cyclopentane,vanadium;
5,5-Diethoxycyclopenta-1,3-dien;
1,3-Cyclopentadiene,5,5-diethoxy;
5,5-Diethoxy-1,3-cyclopentadien;
5,5-Diaethoxy-cyclopentadien;
Cyclopentadienon-diethylketal;
cyclopentadienylvanadium tetracarbonyl;
1,1-diethoxycyclopentadiene;
tetracarbonylcyclopentadienylvanadium;
cyclopentadienone-diethylketal
精确分子量/精确质量:
227.96300
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:
MFCD00014259
EINECS:
235-163-9
InChI:
The Key: LIFGJKDEFQAOFY-UHFFFAOYSA-N

物化性质展开↓

熔点:
138ºC
沸点:
80-110ºC 0,1mm
闪点:
80-100°C/0.1mm subl.
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

其它信息:

1.       性状:白色晶体

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):138

5.       沸点(ºC,常压):未确定

6.       沸点(ºC0.1mmHg):80-100

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:
II
风险类别:
6.1
危险类别码:
23/24/25
安全说明:
26-28-36/37/39-45
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。
S28:接触皮肤之后,立即使用大量皂液洗涤。
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)。
:

合成路线查看所有的合成路线

  • 7440-62-2

  • +

  • 542-92-7

    环戊二烯

  • ~79%

  • 12108-04-2

    四羰基环五二烯基钒

  • 111635-23-5

    CpV(CO)3(tetrahydrothiophene)

  • ~75%

  • 12108-04-2

    四羰基环五二烯基钒

  • 366-18-7

    2,2'-联吡啶

  • +

  • 111635-23-5

    CpV(CO)3(tetrahydrothiophene)

  • 110-01-0

    四氢噻吩

  • +

  • 12108-04-2

    四羰基环五二烯基钒

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↓


Section 1: Product Identification
   Chemical Name:       Cyclopentadienylvanadium tetracarbonyl, min. 97%    
   CAS Registry Number:       12108-04-2    
   Formula:       C5H5V(CO)4    
   EINECS Number:       235-163-9    
   Chemical Family:       metallocene    
   Synonym:       none    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title compound       12108-04-2       100%       0.05mg/m3 (as V)       0.05mg/m3 (as V)    

Section 3: Hazards Identification
   Emergency Overview:       Dust may be irritating to skin, eyes and respiratory tract. May be harmful if swallowed.    
   Primary Routes of Exposure:       Ingestion, inhalation    
   Eye Contact:       May cause slight or mild irritation of the eyes.    
   Skin Contact:       May cause slight to mild irritation of the skin.    
   Inhalation:       Dust may be irritating to the nose mucous membranes and respiratory tract.    
   Ingestion:       No specific information is available on the physiological effects of ingestion.    
   May be irritating to skin, eyes and respiratory tract. Inhalation of large amounts may cause cough, bronchitis,
   Acute Health Affects:
   anemia, hematuria and nervous complaints.
   Chronic Health Affects:       No information available on long-term chronic effects.    
   NTP:       No    
   IARC:       No    
   OSHA:       No    

SECTION 4: First Aid Measures
   Immediately flush the eyes with copious amounts of water for at least 10-15 minutes. A victim may need
   Eye Exposure:
   assistance in keeping their eye lids open. Get immediate medical attention.
   Wash the affected area with water. Remove contaminated clothes if necessary. Seek medical assistance if
   Skin Exposure:
   irritation persists.
   Remove the victim to fresh air. Closely monitor the victim for signs of respiratory problems, such as difficulty in
   Inhalation:
   breathing, coughing, wheezing or pain. In such cases seek immediate medical assistance.
   Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious). Induce
   Ingestion:
   vomiting only if directed by medical personnel.

SECTION 5: Fire Fighting Measures
   Flash Point:       no data    
   Autoignition Temperature:       no data    
   Explosion Limits:       no data    
   Extinguishing Medium:       carbon dioxide, dry powder or foam.    
   If involved in a fire, fire fighters should be equipped with NIOSH approved positive pressure self-contained
   Special Fire Fighting Procedures:
   breathing apparatus and full protective clothing.
   Hazardous Combustion and       If involved in a fire this material may release toxic organic fumes.    
   Decomposion Products:
   Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards.

SECTION 6: Accidental Release Measures
   Small spills can be mixed with vermiculite, sodium carbonate or other suitable non combustible adsorbent and
   Spill and Leak Procedures:
   swept up.

SECTION 7: Handling and Storage
   Handling and Storage:       Handle and store the material under an inert atmosphere of nitrogen or argon. Store cold.    

SECTION 8: Exposure Controls and Personal Protection
   Eye Protection:       Always wear approved safety glasses when handling a chemical substance in the laboratory.    
   Skin Protection:       Wear protective clothing and gloves.    
   Ventilation:       Material may form a fine dust. If possible, handle the material in an efficient fume hood.    
   If ventilation is not available a respirator should be worn. The use of respirators requires a Respiratory
   Respirator:
   Protection Program to be in compliance with 29 CFR 1910.134.
   Ventilation:       Material may form a fine dust. If possible, handle the material in an efficient fume hood.    
   Additional Protection:       No additional protection required.    

SECTION 9: Physical and Chemical Properties
   Color and Form:       orange to red xtl.    
   Molecular Weight:       228.08    
   Melting Point:       138°    
   Boiling Point:       (subl. 80-110°C /0.1mm    
   Vapor Pressure:       no data    
   Specific Gravity:       no data    
   Odor:       not determined    
   Solubility in Water:       insoluble    

SECTION 10: Stability and Reactivity
   Stability:       air sensitive (store cold)    
   Hazardous Polymerization:       No hazardous polymerization.    
   Conditions to Avoid:       none    
   Incompatibility:       oxygen, oxidizing agents and halogens    
   Decomposition Products:       carbon monoxide, carbon dioxide, vanadium oxide and organic fumes.    

SECTION 11: Toxicological Information
   RTECS Data:       No information available in the RTECS files.    
   Carcinogenic Effects:       no data    
   Mutagenic Effects:       no data    
   Tetratogenic Effects:       no data    

SECTION 12: Ecological Information
   Ecological Information:       No information available    

SECTION 13: Disposal Considerations
   Disposal:       Dispose of according to local, state and federal regulations.    

SECTION 14: Transportation
   Shipping Name (CFR):       Non-hazardous    
   Hazard Class (CFR):       NA    
   Additional Hazard Class (CFR):       NA    
   Packaging Group (CFR):       NA    
   UN ID Number (CFR):       NA    
   Shipping Name (IATA):       Non-hazardous    
   Hazard Class (IATA):       NA    
   Additional Hazard Class (IATA):       NA    
   Packaging Group (IATA):       NA    
   UN ID Number (IATA):       NA    

SECTION 15: Regulatory Information
   TSCA:       Not listed in the TSCA inventory    
   SARA (Title 313):       See Category code N770 for reporting.    
   Second Ingredient:       none    


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:227.962748 Da

8、标称质量:228 Da

9、平均质量:228.0751 Da

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:4

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4

7.重原子数量:14

8.表面电荷:0

9.复杂度:21.6

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:6

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  • 111635-23-5

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