二氧化钼

二氧化钼 基本信息
CAS号 18868-43-4 分子式 MoO2
分子量 127.95900 精确质量  129.89500
PSA  34.14000 LogP  -0.23760

基本信息 展开↓

CAS号:
18868-43-4
3D弹球模型:
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分子式:
MoO2
分子量:
127.95900
中文名称:
二氧化钼
英文名称:
dioxomolybdenum
中文别名:
二氧化钼;
氧化钼
英文别名:
dioxomolybdenum;
Molybdenum dioxide;
EINECS 242-637-9;
MoO2;
Molybdenum(IV) oxide
精确分子量/精确质量:
129.89500
极性分子表面积/PSA:
34.14000
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:
MFCD00014223
EINECS:
242-637-9
PubChem:
24854055
InChI:
InChI=1/Mo.2O/q+4;2*-2

生产制备方法及用途展开↓

合成制备方法


1.三氧化钼的氢气还原法。将三氧化钼装入瓷盘,在氢气流中加热到450℃保持5~7h,按上述反应生成二氧化钼并混有三氧化钼。然后,在反应生成物的上部通入氯化氢气体的条件下于暗红热处焙烧时,未反应的三氧化钼变为MoO3·2HCl而挥发掉,剩下的MoO2在氢气流中冷却之。或者将170~325目的三氧化钼粉末装入瓷盘,送到高温干燥的反应管中,然后通氢气把反应管内空气完全置换出去。在氢气流中升温到550~700℃大约保持1h,三氧化钼全部被还原为二氧化钼

2.用金属钼还原三氧化钼的方法,按2∶1的摩尔比准确称取三氧化钼和金属钼粉并充分混合之。将混合物装入石英管,反应管内要彻底排气。加热到700℃保持40h,则得到棕色结晶状粉末。

在氧气的存在下,小心加热金属钼时,作为中间生成物也可以得到二氧化钼。

物化性质展开↓

密度:
6.47 g/mL at 25ºC(lit.)
存储条件/存储方法:

常温密闭避光,通风干燥惰性气体下

稳定性相关:

常温常压下稳定

避免的物料:氧化物 酸 空气。

具有变形的金红石结构,由无限的在相反方向共边的MoO6八面体链组成;Mo—Mo键距的长短沿链的方向交替地变化,长的为0.310nm,短的为0.250nm,它是抗磁性并呈半导体性质,含有金属金属键。具有像铜那样的光泽,是电的良导体。不溶于水、盐酸、氢氟酸、也不溶于碱金属氢氧化物和碱金属碳酸盐的水溶液。因为具有碱性,多多少少能溶解于硫酸中。

其它信息:

1.       性状:呈紫色或棕色。

2.       密度(g/mL,25/4℃):4.696

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↓

海关代码:
2825700000
WGK_Germany:
1
德国有关水污染物质的分类清单
危险类别码:
R20/21/22
安全说明:
26-36
RTECS号:
QA4688000
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。
S36:穿戴合适的防护服装。

化学图谱

  1. 二氧化钼红外图谱(IR1)

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毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
QA4688000
CHEMICAL NAME :
Molybdenum oxide
CAS REGISTRY NUMBER :
18868-43-4
LAST UPDATED :
199712
DATA ITEMS CITED :
37
MOLECULAR FORMULA :
Mo-O2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
318 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ZVKOA6 Zhurnal Vsesoyuznogo Khimicheskogo Obshchestva im. D.I. Mendeleeva. Journal of the D.I. Mendeleeva All-Union Chemical Society. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.5- 1960- Volume(issue)/page/year: 19,186,1974 *** REVIEWS *** ACGIH TLV-TWA 10 mg(Mo)/m3 DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 *** U.S. STANDARDS AND REGULATIONS *** MSHA STANDARD-air:TWA 5 mg(Mo)/m3 DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: 3,173,1971 OSHA PEL (Gen Indu):8H TWA 15 mg(Mo)/m3, total dust CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1910.1000,1994 OSHA PEL (Gen Indu):8H TWA 5 mg(Mo)/m3 CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1910.1000,1994 OSHA PEL (Construc):8H TWA 15 mg(Mo)/m3, total dust CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1926.55,1994 OSHA PEL (Construc):8H TWA 5 mg(Mo)/m3 CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1926.55,1994 OSHA PEL (Shipyard):8H TWA 15 mg(Mo)/m3, total dust CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1915.1000,1993 OSHA PEL (Shipyard):8H TWA 5 mg(Mo)/m3 CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1915.1000,1993 OSHA PEL (Fed Cont):8H TWA 15 mg(Mo)/m3, total dust CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 41,50-204.50,1994 OSHA PEL (Fed Cont):8H TWA 5 mg(Mo)/m3 CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 41,50-204.50,1994 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-AUSTRALIA:TWA 10 mg(Mo)/m3 JAN 1993 OEL-AUSTRALIA:TWA 5 mg(Mo)/m3 JAN 1993 OEL-BELGIUM:TWA 10 mg(Mo)/m3 JAN 1993 OEL-BELGIUM:TWA 5 mg(Mo)/m3 JAN 1993 OEL-DENMARK:TWA 10 mg(Mo)/m3 JAN 1993 OEL-DENMARK:TWA 5 mg(Mo)/m3 JAN 1993 OEL-FINLAND:TWA 5 mg(Mo)/m3 JAN 1993 OEL-FRANCE:TWA 5 mg(Mo)/m3;STEL 10 mg(Mo)/m3 JAN 1993 OEL-GERMANY:TWA 15 mg(Mo)/m3 JAN 1993 OEL-GERMANY:TWA 5 mg(Mo)/m3 JAN 1993 OEL-THE NETHERLANDS:TWA 10 mg(Mo)/m3 JAN 1993 OEL-THE NETHERLANDS:TWA 5 mg(Mo)/m3 JAN 1993 OEL-THE PHILIPPINES:TWA 15 mg(Mo)/m3 JAN 1993 OEL-THE PHILIPPINES:TWA 5 mg(Mo)/m3 JAN 1993 OEL-SWEDEN:TWA 10 mg(Mo)/m3 (total dust) JAN 1993 OEL-SWEDEN:TWA 5 mg(Mo)/m3 (resp. dust) JAN 1993 OEL-SWITZERLAND:TWA 10 mg(Mo)/m3 JAN 1993 OEL-SWITZERLAND:TWA 5 mg(Mo)/m3 JAN 1993 OEL-TURKEY:TWA 15 mg(Mo)/m3 JAN 1993 OEL-TURKEY:TWA 5 mg(Mo)/m3 JAN 1993 OEL-UNITED KINGDOM:TWA 10 mg(Mo)/m3;STEL 20 mg(Mo)/m3 JAN 1993 OEL-UNITED KINGDOM:TWA 5 mg(Mo)/m3;STEL 10 mg/m3 JAN 1993 OEL IN BULGARIA, COLOMBIA, JORDAN, KOREA check ACGIH TLV OEL IN NEW ZEALAND, SINGAPORE, VIETNAM check ACGIH TLV
毒理学数据:

急性毒性:小鼠皮下注射LD50:318 mg/kg

生态数据:

通常对水体是稍微有害的,不要将未稀释或大量产品接触地下水,水道或污水系统,未经政府许可勿将材料排入周围环境。

MSDS 展开↓


Section 1: Product Identification
   Chemical Name:       Molybdenum (IV) oxide, 99%    
   CAS Registry Number:       18868-43-4    
   Formula:       MoO2    
   EINECS Number:       242-637-7    
   Chemical Family:       metal oxide    
   Synonym:       Molybdenum dioxide, Molybdenous oxide.    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title Compound       18868-43-4       100%       10mg/m3 (as Mo-       15mg/m3    

Section 3: Hazards Identification
   Emergency Overview:       May be irritating to skin and eyes and respiratory tract.    
   Primary Routes of Exposure:       Ingestion, inhalation    
   Eye Contact:       May be a mild to severe irritant to the eyes.    
   Skin Contact:       May cause slight to mild irritation of the skin.    
   Inhalation:       Do not breath dust. Inhalation of powder may lead to irritation of the respiratory tract.    
   Ingestion:       Ingestion may lead to vomiting and diarrhea.    
   Acute Health Affects:       May be irritating to skin, eyes, mucous membranes and respiratory tract. Do not breath dust.    
   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.
   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. Material is non-flammable.    
   Special Fire Fighting Procedures:       Non-flammable. No special fire fighting procedures.    
   Hazardous Combustion and       No hazardous combustion or decomposition products.    
   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 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 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 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. 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:       purple pwdr.    
   Molecular Weight:       127.95    
   Melting Point:       no data    
   Boiling Point:       no data    
   Vapor Pressure:       no data    
   Specific Gravity:       6.47    
   Odor:       none    
   Solubility in Water:       insoluble    

SECTION 10: Stability and Reactivity
   Stability:       air and moisture stable solid    
   Hazardous Polymerization:       no hazardous polymerization    
   Conditions to Avoid:       none    
   Incompatibility:       none    
   Decomposition Products:       none    

SECTION 11: Toxicological Information
   RTECS Data:       Subcutaneous (mouse); LD50:318 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:0

3.氢键受体数量:2

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34.1

7.重原子数量:3

8.表面电荷:0

9.复杂度:18.3

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:1

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