128575-71-3

• 常用中文名：氧二过氧(吡啶)(1,3-二甲基-3,4,5,6-四氢-2(1H)-嘧啶酮)钼(IV)
• 常用英文名：OXODIPEROXY(PYRIDINE)(1,3-DIMETHYL-3,4,5,6-TETRAHYDRO-2(1H)-PYRIMIDINONE)MOLYBDENUM (IV)
• CAS号：128575-71-3
• 分子式：C₁₁H₁₇MoN₃O₆
• 分子量：383.22900
• 发布时间：2018-12-22 11:50:51
• 更新时间：2024-02-08 01:46:06

名称

• 中文名: 氧代二过氧(吡啶)(1,3-二甲基-3,4,5,6-四氢-2(1H)-吡啶酮)钼(IV)
• 英文名: 1,3-dimethyl-1,3-diazinan-2-one,hydrogen peroxide,oxomolybdenum,pyridine
• 中文别名: 氧二过氧基(吡啶)(1,3-二甲基-3,4,5,6-四氢-2(1H)-嘧啶酮)钼

物化性质

• 分子式: C₁₁H₁₇MoN₃O₆
• 分子量: 383.22900
• 精确质量: 385.01700
• PSA: 103.63000
• LogP: 0.93870
• 储存条件:

  密闭于阴凉干燥环境中

• 稳定性:

  遵照规定使用和储存则不会分解。

• 分子结构:

  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:

  1.疏水参数计算参考值（XlogP）:1.8

  2.氢键供体数量:1

  3.氢键受体数量:7

  4.可旋转化学键数量:8

  5.互变异构体数量:2

  6.拓扑分子极性表面积130

  7.重原子数量:20

  8.表面电荷:0

  9.复杂度:368

  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:1

  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

• 更多:

  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

MSDS

Section 1: Product Identification Chemical Name:Oxodiperoxy(pyridine)(1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone)molybdenum (IV), min. 95% CAS Registry Number:128575-71-3 Formula:MoO5(C5H5N)(C6H12N2O) EINECS Number:none Chemical Family:organometallic compound Synonym:None Section 2: Composition and Information on Ingredients IngredientCAS NumberPercentACGIH (TWA)OSHA (PEL) Title Compound128575-71-3100%10mg/m3 (as15mg/m3 (as Section 3: Hazards Identification Emergency Overview:Strong oxidizer. Irritating to skin, eyes and respiratory tract. May be harmful if swallowed or inhaled. Primary Routes of Exposure:Ingestion, skin, eyes Eye Contact:Causes irritation to the eyes. Skin Contact:Causes redness and irritation to the skin. Inhalation:Severly irritating to the nose, mucous membranes and respiratory tract. Ingestion may cause burns and edema of the gasto-intestinal system; shock with fall of blood pressure. May Ingestion: be fatal. Ingestion causes severe irritation of the throat, abdominal pain and swelling of the throat. Irritating to skin, Acute Health Affects: eyes and respiratory tract. Chronic Health Affects:No information on long term exposure. 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: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 andIf involved in a fire this material may emit toxic organic fumes. Decomposion Products: Unusual Fire or Explosion Hazards: Material may react violently with reducing agents or fuels. Oxidizer. 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 amber container. Avoid prolonged contact with light. Store cold. 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 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:pale yellow xtl Molecular Weight:383.21 Melting Point:decomposes Boiling Point:no data Vapor Pressure:no data Specific Gravity:no data Odor:none Solubility in Water:insoluble SECTION 10: Stability and Reactivity Stability:light-senstive, heat sensitive Hazardous Polymerization:no hazardous polymerization Conditions to Avoid:Avoid contact with heat and reducing agents Reducing agents and fuels. Phosphorus, sulfur and halogens. Material may decompose violently if heated. Incompatibility: Reacts violently with DMSO. Decomposition Products:Carbon dioxide, carbon monoxide, organic vapors, soot, and molybdenum oxides. 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):Oxidizing Solid, N.O.S. Hazard Class (CFR):5.1 Additional Hazard Class (CFR):NA Packaging Group (CFR):II UN ID Number (CFR):UN# 1479 Shipping Name (IATA):Oxidizing Solid, N.O.S. Hazard Class (IATA):5.1 Additional Hazard Class (IATA):NA Packaging Group (IATA):II UN ID Number (IATA):UN# 1479 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

毒性和生态

生态学数据: 该物质对环境可能有危害，对水体应给予特别注意。

安全

• 风险声明 (欧洲): R8
• 安全声明 (欧洲): 17-26-36/37/39
• 危险品运输编码: UN 1479