乙醇铪

乙醇铪 基本信息
CAS号 13428-80-3 分子式 C8H20HfO4
分子量 358.73200 精确质量  360.08300
PSA  36.92000 LogP  1.94880

基本信息 展开↓

CAS号:
13428-80-3
3D弹球模型:
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分子式:
C8H20HfO4
分子量:
358.73200
中文名称:
乙醇铪
英文名称:
ethanolate,hafnium(4+)
中文别名:
乙醇铪;
乙氧基铪;
乙氧化铪, 99.9% (METALS BASIS);
四乙氧化铪
英文别名:
ethanolate,hafnium(4+);
hafnium ethoxide;
Hafnium tetraethoxide;
Tetraethoxyhafnium
精确分子量/精确质量:
360.08300
极性分子表面积/PSA:
36.92000
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:
MFCD00070459
InChI:
The Key: BFIMXCBKRLYJQO-UHFFFAOYSA-N

物化性质展开↓

熔点:
178-180ºC
沸点:
180-200ºC 13mm
闪点:
8.9ºC
蒸汽压:
82.8mmHg at 25°C
存储条件/存储方法:

常温密闭,阴凉通风干燥

稳定性相关:

常温常压下稳定

避免的物料 水分/潮湿酸 氧化物

其它信息:

1.       性状:白色晶体

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):178-180

5.       沸点(ºC,常压):未确定

6.       沸点(ºC,5.2kPa):180-200

7.       折射率未确定

8.       闪点(ºC):180-200

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):0.66

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:与水接触可释放可燃性酒精

安全信息展开↓

包装等级:
II
风险类别:
4.1
危险类别码:
36/37/38
安全说明:
26-36/37/39
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。
:

毒理性展开↓

毒理学数据:

1、急性毒性:主要的刺激性影响:强烈的刺激皮肤和粘膜,没有已知的敏化影响。

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:       Hafnium (IV) ethoxide, 99%    
   CAS Registry Number:       13428-80-3    
   Formula:       Hf4O(OC2H5)14.2C2H5OH    
   EINECS Number:
   Chemical Family:       metal alkoxide    
   Synonym:       hafnium ethanolate. ethanol, hafnium salt.    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title Compound       13428-80-3       100%       0.5mg/m3 (as Hf)       0.5mg/m3 (as Hf)    

Section 3: Hazards Identification
   Emergency Overview:       Irritating to the respiratory tract, skin and eyes. May be harmful if swallowed.    
   Primary Routes of Exposure:       Inhalation, ingestion, contact with skin and eyes.    
   Eye Contact:       Causes slight to mild irritation of the eyes.    
   Skin Contact:       Causes slight to mild irritation of the skin.    
   Inhalation:       Irritating to skin, eyes and respiratory tract.    
   Ingestion:       Ingestion may cause gastrointestinal distress, nausea, vomiting and headache.    
   Acute Health Affects:       Irritating to skin, eyes and respiratory tract.    
   No data is available for this product. Prolonged exposure to ethanol vapors may be harmful to nerves and
   Chronic Health Affects:
   liver.
   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 soap and water. Remove contaminated clothes if necessary. Seek medical
   Skin Exposure:
   assistance if irritation persists.
   Remove the victim to fresh air. Closely monitor the victim for signs of respiratory problems, such as difficulty
   Inhalation:
   in breathing, coughing, wheezing, or pain. In such cases seek immediate medical assistance.
   Ingestion:       Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious).    

SECTION 5: Fire Fighting Measures
   Flash Point:       not applicable    
   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 a 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 emit toxic organic fumes.    
   Decomposion Products:
   Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards.

SECTION 6: Accidental Release Measures
   Avoid contact with water. Small spills may be adsorbed into diatomaceous earth, sand, or other suitable
   Spill and Leak Procedures:
   adsorbent, and swept up.

SECTION 7: Handling and Storage
   Store in a tightly sealed container in a dry place. If container is left open, product may adsorb moisture and
   Handling and Storage:
   carbon dioxide from the atmosphere and release ethanol vapor.

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 vapor upon exposure to air. 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 Respirator
   Respirator:
   Protection Program to be in compliance with 29 CFR 1910.134.
   Ventilation:       Material may form a vapor upon exposure to air. 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:       white to off-white xtl.    
   Molecular Weight:       358.73    
   Melting Point:       no data    
   Boiling Point:       no data    
   Vapor Pressure:       no data    
   Specific Gravity:       no data    
   Odor:       alcohol-like odor    
   Solubility in Water:       Reacts with water    

SECTION 10: Stability and Reactivity
   Stability:       air and moisture sensitive solid    
   Hazardous Polymerization:       no hazardous polymerization    
   Conditions to Avoid:       contact with moisture    
   Incompatibility:       Oxidizing agents and halogens    
   Decomposition Products:       Carbon dioxide, carbon monoxide, organic vapors, and metal oxides and carbonates.    

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

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):       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↓

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:360.082659 Da

8、标称质量:360 Da

9、平均质量:358.732 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92.2

7.重原子数量:13

8.表面电荷:0

9.复杂度:2.8

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:5

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