柠檬酸钴

柠檬酸钴 基本信息
CAS号 866-81-9 分子式 C12H10Co3O14
分子量 554.99900 精确质量  554.80700
PSA  281.24000 LogP  -10.50520

基本信息 展开↓

CAS号:
866-81-9
分子式:
C12H10Co3O14
分子量:
554.99900
中文名称:
柠檬酸钴
英文名称:
cobalt(2+),2-hydroxypropane-1,2,3-tricarboxylate
中文别名:
柠檬酸钴;
二水柠檬酸钴 柠檬酸钴水合物 柠檬酸钴二水
英文别名:
cobalt(2+),2-hydroxypropane-1,2,3-tricarboxylate;
Tricobalt dicitrate;
Cobalt citrate;
EINECS 212-751-3;
Citric acid,cobalt(2+) salt (2:3);
COBALTOUS CITRATE
精确分子量/精确质量:
554.80700
极性分子表面积/PSA:
281.24000
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:
MFCD00150521
EINECS:
212-751-3
InChI:
InChI=1/2C6H8O7.3Co/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;

物化性质展开↓

熔点:
150ºC (dec.)
沸点:
309.6ºC at 760mmHg
闪点:
155.2ºC
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):150°C (dec.)

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↓

危险类别码:
20/21/22
安全说明:
S22
安全标志:
S22:不要吸入粉尘。
:

MSDS 展开↓


Section 1: Product Identification
   Chemical Name:       Cobalt (II) citrate hydrate    
   CAS Registry Number:       866-81-9    
   Formula:       Co3(C6H5O7)2.XH2O    
   EINECS Number:       212-751-3    
   Chemical Family:       salt of an organic acid    
   Synonym:       Citric acid, cobalt salt.    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title Compound       866-81-9       100%       0.02mg/m3       no data    

Section 3: Hazards Identification
   Emergency Overview:       Irritating to skin, eyes and respiratory tract. Limited evidence of a carcinogenic effect.    
   Primary Routes of Exposure:       Contact with skin and eyes. Dust inhalation.    
   Eye Contact:       Causes slight to mild irritation of the eyes.    
   Skin Contact:       Causes slight to mild irritation of the skin. May cause dermatitis.    
   Inhalation:       Irritating to the nose, mucous membranes and respiratory tract, and cause shortness of breath.    
   No consistent information is available on the physiological effects of ingestion of large amounts. May cause
   Ingestion:
   polycythemia.
   Acute Health Affects:       Irritating to skin, eyes and respiratory tract.    
   Chronic Health Affects:       No information available on long-term chronic effects. Limited evidence of a carcinogenic effect.    
   NTP:       No    
   IARC:       Yes    
   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:       none    
   Explosion Limits:       none    
   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
   Spill and Leak Procedures:       Small spills can be mixed with vermiculite or sodium carbonate and swept up.    

SECTION 7: Handling and Storage
   Handling and Storage:       Store in a sealed container. Keep away from heat and moisture.    

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 appropriate chemical resistant gloves and protective clothing.    
   Ventilation:       Material may form a fine dust. If possible, handle the material in an efficient fume hood.    
   If in form of fine dust and ventilation is not available a respirator should be worn. The use of respirators
   Respirator:
   requires a 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:       red xtl.    
   Molecular Weight:       555.01    
   Melting Point:       no data    
   Boiling Point:       no data    
   Vapor Pressure:       not applicable    
   Specific Gravity:       no data    
   Odor:       none    
   Solubility in Water:       Slightly soluble    

SECTION 10: Stability and Reactivity
   Stability:       air and moisture stable solid    
   Hazardous Polymerization:       no hazardous polymerization    
   Conditions to Avoid:       none    
   Incompatibility:       Oxidizing agents    
   Decomposition Products:       Carbon dioxide, carbon monoxide, organic vapors, and metal oxides and carbonates.    

SECTION 11: Toxicological Information
   RTECS Data:       No specific information available on this product.    
   Carcinogenic Effects:       Possible carcinogen (as Co)    
   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:       Listed in the TSCA inventory.    
   SARA (Title 313):       Title compound: See Category Code N096 for reporting.    
   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:2

3.氢键受体数量:14

4.可旋转化学键数量:4

5.互变异构体数量:无

6.拓扑分子极性表面积281

7.重原子数量:29

8.表面电荷:0

9.复杂度:211

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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