二甲基(三氟乙酰丙酮)金(III)

二甲基(三氟乙酰丙酮)金(III) 基本信息
CAS号 63470-53-1 分子式 C7H10AuF3O2
分子量 380.11500 精确质量  380.03000
PSA  26.30000 LogP  2.66760

基本信息 展开↓

CAS号:
63470-53-1
分子式:
C7H10AuF3O2
分子量:
380.11500
中文名称:
二甲基(三氟乙酰丙酮)金(III)
英文名称:
carbanide,gold(3+),(Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate
中文别名:
二甲基(三氟乙酰丙酮)金(III);
二甲基(三氟乙酰基丙铜)金(III)
英文别名:
carbanide,gold(3+),(Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate;
Gold,dimethyl(1,1,1-trifluoro-2,4-pentanedionato-kappaO,kappaO')-,(SP-4-3);
(Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate;
gold(3+)
精确分子量/精确质量:
380.03000
极性分子表面积/PSA:
26.30000
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。

生产制备方法及用途展开↓

制备方法


用作化学试剂

用途简介


用途


用作化学试剂

物化性质展开↓

沸点:
195.6ºC at 760 mmHg
闪点:
72.1ºC
存储条件/存储方法:

 

 密闭于阴凉干燥环境中

稳定性相关:

 

遵照规定使用和储存则不会分解。

其它信息:

1.       性状:无可用

2.       密度(g/mL,25/4):无可用

3.       相对蒸汽密度(g/mL,空气=1):无可用

4.       熔点(ºC):无可用

5.       沸点(ºC,常压):无可用

6.       沸点(ºC,5.2kPa):无可用

7.       折射率:无可用

8.       闪点(ºC):无可用

9.       比旋光度(º):无可用

10.    自燃点或引燃温度(ºC):无可用

11.    蒸气压(kPa,25ºC):无可用

12.    饱和蒸气压(kPa,60ºC):无可用

13.    燃烧热(KJ/mol):无可用

14.    临界温度(ºC):无可用

15.    临界压力(KPa):无可用

16.    油水(辛醇/水)分配系数的对数值:无可用

17.    爆炸上限(%,V/V):无可用

18.    爆炸下限(%,V/V):无可用

19.    溶解性:无可用

安全信息展开↓

风险类别:
6.1(a)
危险类别码:
R23/24/25
安全说明:
26-36/37/39-45
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。
S45:出现意外或者感到不适,立刻到医生那里寻求帮助(最好带去产品容器标签)。
:

毒理性展开↓

毒理学数据:

试验方法:吸入
摄入剂量: 81 mg/m3/4H
测试对象:啮齿动物-
毒性类型:急性
毒性作用: 1.感官(眼)机构异常 -流泪
2.
嗜睡(普通抑郁活动)
3.
肺,胸部或呼吸-呼吸刺激

生态数据:

 

该物质对环境可能有危害,对水体应给予特别注意。

MSDS 展开↓


Section 1: Product Identification
   Chemical Name:       Dimethyl(trifluoroacetylacetonate)gold (III), 98% (99.9%-Au) **MUST SHIP OVERNIGHT/DRY ICE**    
   CAS Registry Number:       63470-53-1    
   Formula:       (CH3)2Au(CF3COCHCOCH3)    
   EINECS Number:       None    
   Chemical Family:       metal fluorobeta-diketonate complexes    
   Synonym:       Dimethylgold (III) trifluoroacetylacetonate; Dimethylgold (III) 1,1,1-trifluoro-2,5-pentanedionate    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title Compound       63470-53-1       100%       2.5mg/m3 (as F)       2.5mg/m3 (as F)    

Section 3: Hazards Identification
   Toxic by inhalation. Irritating to skin, eyes, and respiratory tract. Exposure to gold compounds may damage
   Emergency Overview:
   kidney function and reduce blood cell count. This compound may cause fluoride poisoning.
   Primary Routes of Exposure:       Ingestion, inhalation, skin, eyes    
   Eye Contact:       Causes slight to mild irritation of the eyes.    
   Skin Contact:       Causes slight to mild irritation of the skin.    
   Toxic by inhalation. Irritating to the nose, mucous membranes and respiratory tract. Inhalation may cause
   Inhalation:
   fluoride poisoning.
   Ingestion may lead to dermatitis, dizziness, metallic taste, abdominal cramps, vomiting, bloody diarrhea,
   Ingestion:
   weakness, and convulsions.
   Toxic by inhalation. Gold compounds cause irritation to the eyes and respiratory tract, impairment of kidney
   Acute Health Affects:
   and bone marrow function, abdominal cramps, vomiting, bloody diarrhea, weakness, and convulsions.
   Prolonged exposure to gold compounds may lead to reduced red and white blood cell generation. Chronic
   Chronic Health Affects:
   fluoride poisoning can cause severe bone changes, loss of weight, and dental defects.
   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
   Inhalation:
   in 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:       not applicable    
   Autoignition Temperature:       none    
   Explosion Limits:       none    
   Extinguishing Medium:       none required    
   If this product is involved in a fire, fire fighters should be equipped with a NIOSH approved positive pressure
   Special Fire Fighting Procedures:
   self- contained breathing apparatus and full protective clothing.
   Hazardous Combustion and       Combustible material. If involved in a fire this material may emit toxic and corrosive fumes.    
   Decomposion Products:
   Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards.

SECTION 6: Accidental Release Measures
   To avoid raising dust, small spills may be mixed with diatomaceous earth, sand, vermiculite, or other suitable
   Spill and Leak Procedures:
   inert material and swept up.

SECTION 7: Handling and Storage
   Handling and Storage:       Store cold (freezer), under an inert atmosphere, 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 clothing and gloves.    
   Ventilation:       Material may form a fine dust. 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 fine dust. 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:       380.12    
   Melting Point:       no data    
   Boiling Point:       no data    
   Vapor Pressure:       not applicable    
   Specific Gravity:       no data    
   Odor:       none    
   Solubility in Water:       insoluble    

SECTION 10: Stability and Reactivity
   Stability:       air sensitive, heat sensitive, light sensitive    
   Hazardous Polymerization:       no hazardous polymerization    
   Conditions to Avoid:       contact with air, heat, and light.    
   Incompatibility:       oxidizing agents and active metals    
   Decomposition Products:       carbon monoxide, carbon dioxide, hydrogen fluoride, and gold.    

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):       Toxic solids, organic, N.O.S.    
   Hazard Class (CFR):       6.1    
   Additional Hazard Class (CFR):       NA    
   Packaging Group (CFR):       II    
   UN ID Number (CFR):       UN# 2811    
   Shipping Name (IATA):       Toxic solid, Organic, N.O.S.    
   Hazard Class (IATA):       6.1    
   Additional Hazard Class (IATA):       NA    
   Packaging Group (IATA):       II    
   UN ID Number (IATA):       UN# 2811    

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

2、   摩尔体积(cm3/mol):无可用       

3、   等张比容(90.2K):无可用

4、   表面张力(dyne/cm):无可用

5、   极化率:无可用

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:7

4.可旋转化学键数量:1

5.互变异构体数量:2

6.拓扑分子极性表面积40.1

7.重原子数量:13

8.表面电荷:0

9.复杂度:168

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:1

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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