四氯化环戊二烯基铌

四氯化环戊二烯基铌 基本信息
CAS号 33114-15-7 分子式 C5H5Cl4Nb
分子量 299.81200 精确质量  297.82100
PSA  0.00000 LogP  3.77950

基本信息 展开↓

CAS号:
33114-15-7
分子式:
C5H5Cl4Nb
分子量:
299.81200
中文名称:
四氯化环戊二烯基铌
英文名称:
cyclopenta-1,3-diene,niobium(5+),tetrachloride
中文别名:
四氯化环戊二烯基铌;
三羰基(η-环戊二烯基)四氯化铌(V)
英文别名:
cyclopenta-1,3-diene,niobium(5+),tetrachloride;
Cyclopentadienylniobium(V) tetrachloride
精确分子量/精确质量:
297.82100
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:
MFCD00070445

物化性质展开↓

熔点:
260ºC
存储条件/存储方法:

保持贮藏器密封、储存在阴凉、干燥的地方,确保工作间有良好的通风或排气装置

稳定性相关:

如果遵照规格使用和储存则不会分解,未有已知危险反应

避免氧化物、水分

其它信息:

1.         性状:酸性的红棕色粉末

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):180

5.         沸点(ºC,常压):未确定

6.         沸点(ºC,KPa):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(Pa,20ºC):未确定

12.      饱和蒸气压(KPa,20ºC):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
危险类别码:
R20/21/22
安全说明:
26-37/39
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:
Xn: Harmful;

毒理性展开↓

生态数据:

通常对水是稍微有危害的,若无政府许可,勿将材料排入周围环境。

MSDS 展开↓


Section 1: Product Identification
   Chemical Name:       Cyclopentadienylniobium (V) tetrachloride, 98%    
   CAS Registry Number:       33114-15-7    
   Formula:       C5H5NbCl4    
   EINECS Number:       none    
   Chemical Family:       metallocene    
   Synonym:       niobium tetrachloride, cyclopentadiene complex    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title compound       33114-15-7       100%       no data       no data    

Section 3: Hazards Identification
   Corrosive to skin and eyes. Material hydrolyzes in contact with moisture releasing toxic and corrosive fumes
   Emergency Overview:
   of hydrogen chloride and aqueous hydrochloric acid.
   Primary Routes of Exposure:       Contact with skin and eyes. Inhalation of dust.    
   Eye Contact:       Corrosive to the eyes.    
   Skin Contact:       Causes burns to the skin.    
   Inhalation:       Forms hydrogen chloride in the presence of moisture. Inhalation will lead to burning of the respiratory tract.    
   Ingestion:       If large amounts ingested, severe burns to the gastrointestinal tract may occur.    
   Corrosive to skin, eyes and respiratory tract. Causes eye and skin burns, dyspnea (difficulty breathing) and
   Acute Health Affects:
   pulmonary edema.
   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 corrosive hydrogen chloride fumes.    
   Decomposion Products:
   Unusual Fire or Explosion Hazards: No unusual fire or explosion hazard.

SECTION 6: Accidental Release Measures
   Spill and Leak Procedures:       Small spills can be mixed with vermiculite or sodium carbonate and swept up.    

SECTION 7: Handling and Storage
   Store in a tightly sealed container. Keep away from heat, moisture and direct sunlight. Handle and store under
   Handling and Storage:
   a dry atmosphere of nitrogen or argon.

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. Consult with glove manufacturer to determine the proper type of glove.    
   Ventilation:       Material may emit corrosive fumes. 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 emit corrosive fumes. Handle the material in an efficient fume hood.    
   Additional Protection:       No additional protection required.    

SECTION 9: Physical and Chemical Properties
   Color and Form:       red to brown powder    
   Molecular Weight:       299.82    
   Melting Point:       180° dec.    
   Boiling Point:       no data    
   Vapor Pressure:       no data    
   Specific Gravity:       no data    
   Odor:       pungent odor    
   Solubility in Water:       reacts with water    

SECTION 10: Stability and Reactivity
   Stability:       moisture sensitive    
   Hazardous Polymerization:       No hazardous polymerization.    
   Conditions to Avoid:       none    
   Incompatibility:       oxidizing agents and active metals    
   Decomposition Products:       niobium oxide, carbon monoxide, carbon dioxide, hydrogen chloride 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):       Corrosive solids, N.O.S.    
   Hazard Class (CFR):       8    
   Additional Hazard Class (CFR):       NA    
   Packaging Group (CFR):       II    
   UN ID Number (CFR):       UN# 1759    
   Shipping Name (IATA):       Corrosive solid, N.O.S.    
   Hazard Class (IATA):       8    
   Additional Hazard Class (IATA):       NA    
   Packaging Group (IATA):       II    
   UN ID Number (IATA):       UN# 1759    

SECTION 15: Regulatory Information
   TSCA:       Not listed in the TSCA inventory.    
   SARA (Title 313):       Title compound not listed.    
   Second Ingredient:       none    


SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据展开↓

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:5

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0

7.重原子数量:10

8.表面电荷:0

9.复杂度:72

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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