三(6,6,7,7,8,8,8-七氟-2,2-二甲基-3,5-辛烷二酮

三(6,6,7,7,8,8,8-七氟-2,2-二甲基-3,5-辛烷二酮 基本信息
CAS号 19106-89-9 分子式 C30H30F21LaO6
分子量 1024.43773 精确质量  1024.07706
PSA  102.42000 LogP  10.18110

基本信息 展开↓

CAS号:
19106-89-9
分子式:
C30H30F21LaO6
分子量:
1024.43773
中文名称:
三(6,6,7,7,8,8,8-七氟-2,2-二甲基-3,5-辛烷二酮
英文名称:
Lanthanum, tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionato-κO3,κO5)-
中文别名:
三(6,6,7,7,8,8,8-七氟-2,2-二甲基-3,5-辛烷二酮
英文别名:
Lanthanum, tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionato-κO3,κO5)-;
Lanthanum, tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionato)- (8CI);
Lanthanum, tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionato-O,O')-;
Lanthanum, tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionato-κO,κO')- (9CI);
3,5-Octanedione, 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-, lanthanum complex;
Tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionato-κO3,κO5)lanthanum;
Lanthanum, tris(1,1,1,2,2,3,3-heptafluoro-7,7-dimethyl-4,6-octanedionato)-;
NSC 174300;
Tris(1,1,1,2,2,3,3-heptafluoro-7,7-dimethyl-4,6-octanedionato)lanthanum;
Tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionato)lanthanum
精确分子量/精确质量:
1024.07706
极性分子表面积/PSA:
102.42000
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:
MFCD00798418
EINECS:
242-822-4
PubChem:
24889827

物化性质展开↓

沸点:
172.7ºC at 760mmHg
闪点:
75.5ºC
蒸汽压:
0.0812mmHg at 25°C
其它信息:

1.       性状:不确定

2.       密度(g/mL,25/4):不确定

3.       相对蒸汽密度(g/mL,空气=1):不确定

4.       熔点(ºC):不确定

5.       沸点(ºC,常压):不确定

6.       沸点(ºC, 5.2kPa):不确定

7.       折射率:不确定

8.       闪点(ºC):不确定

9.       比旋光度(º):不确定

10.    自燃点或引燃温度(ºC):不确定

11.    蒸气压(kPa,25ºC):不确定

12.    饱和蒸气压(kPa,60ºC):不确定

13.    燃烧热(KJ/mol):不确定

14.    临界温度(ºC):不确定

15.    临界压力(KPa):不确定

16.    油水(辛醇/水)分配系数的对数值:不确定

17.    爆炸上限(%,V/V):不确定

18.    爆炸下限(%,V/V):不确定

19.    溶解性:不确定

安全信息展开↓

危险类别码:
36/37/38
安全说明:
22-24/25
安全标志:
S22:不要吸入粉尘。
S24/25:防止皮肤和眼睛接触。

MSDS 展开↓


Section 1: Product Identification
   Tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionate)lanthanum (III), 99% (99.9%-La) (REO)
   Chemical Name:
   La(FOD)3
   CAS Registry Number:       19106-89-9    
   Formula:       La(C3F7COCHCOC4H9)3    
   EINECS Number:       242-822-4    
   Chemical Family:       metal fluorobeta-diketonate complexes    
   Synonym:       tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-4,6- dionato-O,O')lanthanum    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title Compound       19106-89-9       100%       no data       no data    

Section 3: Hazards Identification
   Emergency Overview:       Dust may be irritating to eyes, skin and respiratory tract. Harmful if swallowed.    
   Primary Routes of Exposure:       Ingestion, inhalation    
   Eye Contact:       May cause slight to mild irritation of the eyes.    
   Skin Contact:       May cause slight to mild irritation of the skin.    
   Inhalation:       May cause irritation to the nose, mucous membranes and respiratory tract.    
   Ingestion:       No information available on the effects of ingestion.    
   Acute Health Affects:       May be irritating to skin, eyes and respiratory tract.    
   Product contains fluorine which under certain conditions of use, decomposition, or metabolism, may generate
   Chronic Health Affects:       fluoride ion, causing, nausea, vomiting, labored breathing, hypocalcaemia, deterioration of bone and tooth    
   structure, kidney and liver damage.
   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:       none    
   Explosion Limits:       none    
   Extinguishing Medium:       carbon dioxide, dry powder or foam.    
   If this product is involved in a fire, firefighters should be equipped with NIOSH approved positive pressure
   Special Fire Fighting Procedures:
   self-contained breathing apparatus and full protective clothing.
   Hazardous Combustion and       If involved in a fire this material may emit toxic and corrosive fumes of hydrogen fluoride    
   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:       Store in a cool, dry place in a tightly sealed container.    

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 clothes and gloves. Consult glove manufacturer to determine the proper type of glove.    
   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:       white powder    
   Molecular Weight:       1024.44    
   Melting Point:       no data    
   Boiling Point:       no data    
   Vapor Pressure:       no data    
   Specific Gravity:       no data    
   Odor:       none    
   Solubility in Water:       insoluble    

SECTION 10: Stability and Reactivity
   Stability:       air and moisture stable    
   Hazardous Polymerization:       no hazardous polymerization    
   Conditions to Avoid:       none    
   Incompatibility:       strong oxidizing agents    
   Decomposition Products:       carbon monoxide, lanthanum salts, hydrogen fluoride, carbonyl fluoride and organic fumes.    

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↓

计算化学数据


1、   氢键供体数量:6

2、   氢键受体数量:21

3、   可旋转化学键数量:9

4、   拓扑分子极性表面积(TPSA):6

5、   重原子数量:58

6、   表面电荷:6

7、   复杂度:1310

8、   同位素原子数量:0

9、   确定原子立构中心数量:0

10、   不确定原子立构中心数量:0

11、   确定化学键立构中心数量:0

12、   不确定化学键立构中心数量:0

13、   共价键单元数量:4

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