六氟-2,4-乙酰丙酮铬(III)

六氟-2,4-乙酰丙酮铬(III) 基本信息
CAS号 14592-80-4 分子式 C15H3CrF18O6
分子量 673.14800 精确质量  672.90500
PSA  78.90000 LogP  6.13470

基本信息 展开↓

CAS号:
14592-80-4
分子式:
C15H3CrF18O6
分子量:
673.14800
中文名称:
六氟-2,4-乙酰丙酮铬(III)
英文名称:
CHROMIUM (III) HEXAFLUOROACETYLACETONATE
中文别名:
六氟-2,4-乙酰丙酮铬(III);
六氟乙酰丙酮化铬
英文别名:
CHROMIUM (III) HEXAFLUOROACETYLACETONATE;
CHROMIUM(III) HEXAFLUORO-2,4-PENTANEDIONATE;
CHROMIUM(III)HEXAFLUOROPENTANEDIONATE;
Chromium, tris(1,1,1,5,5,5-hexafluoro-2,4-pentanedionato)-;
Chromium, tris(1,1,1,5,5,5-hexafluoro-2,4-pentanedionato-O,O'-);
Chromium, tris(1,1,1,5,5,5-hexafluoro-2,4-pentanedionato-O,O')-, (OC-6-11)-;
Chromium, tris(1,1,1,5,5,5-hexafluoroacetylacetonato)-;
Tris(1,1,1,5,5,5-hexafluoro-2,4-pentanedionato)chromium
精确分子量/精确质量:
672.90500
极性分子表面积/PSA:
78.90000
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:
MFCD00044995

物化性质展开↓

外观与性状:
绿色晶体
熔点:
83-85ºC
沸点:
70ºC at 760 mmHg
闪点:
30.8ºC
蒸汽压:
131mmHg at 25°C
存储条件/存储方法:

常温密闭避光,通风干燥

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:绿色晶体

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):79-85

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):不适用的

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:不能溶解的

安全信息展开↓

危险类别码:
R20/21/22
安全说明:
23-36/37/39
安全标志:
S23:不要吸入蒸汽。
:

毒理性展开↓

毒理学数据:

1、急性毒性: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;没有已知的敏化影响。

生态数据:

通常对水是不危害的,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:       Chromium (III) hexafluoracetylacetonate, min. 98%    
   CAS Registry Number:       14592-80-4    
   Formula:       Cr(CF3COCHCOCF3)3    
   EINECS Number:       none    
   Chemical Family:       metal fluorobeta-diketonate complexes    
   Synonym:       chromium (III) hexafluoro-2,4-pentanedionate; Tris(1,1,1,5,5,5-hexafluoroacetylacetonate)chromium (III)    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title compound       14592-80-4       100%       0.5mg/m3 (as Cr)       0.5mg/m3 (as Cr)    

Section 3: Hazards Identification
   Emergency Overview:       Irritating to skin, eyes and respiratory tract.    
   Primary Routes of Exposure:       Ingestion, inhalation    
   Eye Contact:       Causes slight to mild irritation of the eyes.    
   Skin Contact:       Causes slight to mild irritation of the skin.    
   Inhalation:       Irritating to the nose, mucous membranes and respiratory tract.    
   Ingestion:       Ingestion may cause gastrointestinal distress, burning of throat, dizziness, and weakness.    
   Acute Health Affects:       Irritating to skin, eyes and respiratory tract.    
   Chromium salts have behaved as tumorigens and mutagens in animal studies. Product contains fluorine which
   Chronic Health Affects:       may generate fluoride ion causing vomiting, labored breathing, hypocalcaemia, deterioration of bone and tooth    
   structure, kidney and liver damage.
   NTP:       Yes    
   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 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 chromium oxide and 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:       Store the material in a tightly 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 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:       green xtl.    
   Molecular Weight:       673.14    
   Melting Point:       83-85°    
   Boiling Point:       no data    
   Vapor Pressure:       no data    
   Specific Gravity:       no data    
   Odor:       not determined    
   Solubility in Water:       insoluble    

SECTION 10: Stability and Reactivity
   Stability:       air and moisture stable    
   Hazardous Polymerization:       No hazardous polymerization.    
   Conditions to Avoid:       none    
   Incompatibility:       oxidizing agents and active metals    
   Decomposition Products:       organic fumes, carbon monoxide, carbon dioxide, hydrogen fluoride and chromium oxide.    

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):       Title compound: See category code N090 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:672.904732 Da

8、标称质量:673 Da

9、平均质量:673.1481 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:24

4.可旋转化学键数量:0

5.互变异构体数量:4

6.拓扑分子极性表面积102

7.重原子数量:40

8.表面电荷:0

9.复杂度:726

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:4

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