醋酸钕

醋酸钕 基本信息
CAS号 6192-13-8 分子式 C6H19NdO11
分子量 411.44800 精确质量  409.00000
PSA  166.54000 LogP  -4.05290

基本信息 展开↓

CAS号:
6192-13-8
3D弹球模型:
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分子式:
C6H19NdO11
分子量:
411.44800
中文名称:
醋酸钕
英文名称:
neodymium(3+),triacetate,pentahydrate
中文别名:
醋酸钕;
乙酸钕
英文别名:
neodymium(3+),triacetate,pentahydrate;
neodimium acetate
精确分子量/精确质量:
409.00000
极性分子表面积/PSA:
166.54000
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:
MFCD00150120
EINECS:
228-244-5
PubChem:
24859538
InChI:
InChI=1/3C2H4O2.Nd/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3

物化性质展开↓

外观与性状:
淡紫色
沸点:
117.1ºC at 760 mmHg
闪点:
40ºC
其它信息:

1.       性状:未确定

2.       密度(g/mL,25):未确定

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):未确定

5.       沸点(ºC,常压):未确定

6.       沸点(ºC23mmHg):未确定

7.       折射率:未确定

8.       闪点ºF):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(20ºC):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↓

WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R36/37/38
安全说明:
26-37/39
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。
:
危险标志:
Xi: Irritant;

合成路线查看所有的合成路线

  • 64-19-7

    乙酸

  • +

  • 16454-60-7

    硝酸钕六水合物

  • 6192-13-8

    醋酸钕

  • 127-08-2

    乙酸钾

  • +

  • 10024-93-8

    三氯化钕

  • 6192-13-8

    醋酸钕

  • 127-09-3

    无水醋酸钠

  • +

  • 10024-93-8

    三氯化钕

  • 6192-13-8

    醋酸钕

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AI9700000
CHEMICAL NAME :
Acetic acid, neodymium(3+) salt
CAS REGISTRY NUMBER :
6192-13-8
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C6-H9-O6.Nd
MOLECULAR WEIGHT :
321.39
WISWESSER LINE NOTATION :
OV1 3 &-ND-

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - cat
DOSE/DURATION :
50 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ZGEMAZ Zeitschrift fuer die Gesamte Experimentelle Medizin. (Berlin, Fed. Rep. Ger.) V.1-139, 1913-65. For publisher information, see REXMAS. Volume(issue)/page/year: 113,536,1944
毒理学数据:

1.        急性毒性:猫静脉注射LDLo50mg/kg

MSDS 展开↓


Section 1: Product Identification
   Chemical Name:       Neodymium (III) acetate hydrate (99.9%-Nd) (REO)    
   CAS Registry Number:       6192-13-8    
   Formula:       Nd(OOCCH3)3.XH2O    
   EINECS Number:       none    
   Chemical Family:       metal acetate salt    
   Synonym:       Acetic acid, neodymium(+3) salt, hydrate    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title Compound       6192-13-8       100%       no data       no data    

Section 3: Hazards Identification
   Emergency Overview:       Irritating to skin, eyes and respiratory tract. May be harmful if swallowed.    
   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:       No information on the physiological effects of ingestion. May be harmful if swallowed.    
   Acute Health Affects:       Irritating to skin, eyes and respiratory tract.    
   Chronic Health Affects:       No information available on long-term chronic effects.    
   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.
   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:       light purple xtl.    
   Molecular Weight:       321.38    
   Melting Point:       no data    
   Boiling Point:       no data    
   Vapor Pressure:       no data    
   Specific Gravity:       no data    
   Odor:       none    
   Solubility in Water:

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

SECTION 11: Toxicological Information
   RTECS Data:       Intravenous (cat); LDLo: 50 mg/kg.    
   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:       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.疏水参数计算参考值(XlogP):无

2.氢键供体数量:5

3.氢键受体数量:11

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125

7.重原子数量:18

8.表面电荷:0

9.复杂度:25.5

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:9

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  • 127-09-3

    无水醋酸钠

  • 10024-93-8

    三氯化钕

  • 127-08-2

    乙酸钾

  • 64-19-7

    乙酸

  • 16454-60-7

    硝酸钕六水合物

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