1141-06-6

• 常用中文名：吡咯酮
• 常用英文名：alpha-pyridoin
• CAS号：1141-06-6
• 分子式：C₁₂H₁₀N₂O₂
• 分子量：214.22000
• 相关类别： 医药中间体 杂环化合物 吡啶类化合物 吡啶衍生物
• 发布时间：2018-07-18 10:24:13
• 更新时间：2024-01-02 22:03:48
• 下载msds

名称

• 中文名: 吡咯酮
• 英文名: 2-hydroxy-1,2-dipyridin-2-ylethanone
• 中文别名: Α-吡啶偶姻
• 英文别名: 2-hydroxy-1,2-di(pyridin-2-yl)-ethan-1-one; 2-hydroxy-1,2-di-pyridin-2-yl-ethanone; EINECS 214-526-5; 2-hydroxy-[1,2-di(pyridin-2-yl)]ethane-1-one; 1,2-bis(2-pyridinyl)-2-hydroxyethan-1-one; 2-hydroxy-1,2-di(2-pyridyl)ethan-1-one; MFCD00010691; a-pyridoin; Ethanone,2-hydroxy-1,2-di-2-pyridinyl; 2-hydroxy-1,2-(dipyridine-2-yl)ethane-1-one

物化性质

• 密度: 1.287g/cm3
• 沸点: 387.6ºC at 760mmHg
• 熔点: 156-160ºC(lit.)
• 分子式: C₁₂H₁₀N₂O₂
• 分子量: 214.22000
• 闪点: 188.2ºC
• 精确质量: 214.07400
• PSA: 63.08000
• LogP: 1.39290
• 外观性状: 橙色至棕色结晶粉末
• 蒸汽压: 1.06E-06mmHg at 25°C
• 折射率: 1.62
• 储存条件:

  密封储存，储存于阴凉、干燥的库房。

• 稳定性:

  常温常压下稳定，避免与强氧化剂接触。

• 分子结构:

  1、摩尔折射率：58.48

  2、摩尔体积（cm³/mol）：166.3

  3、等张比容（90.2K）：468.2

  4、表面张力（dyne/cm）：62.7

  5、介电常数：无可用的

  6、极化率（10^-24cm³）：23.18

  7、单一同位素质量：214.074228 Da

  8、标称质量：214 Da

  9、平均质量：214.22 Da

• 计算化学:

  1.疏水参数计算参考值（XlogP）:0.9

  2.氢键供体数量:1

  3.氢键受体数量:4

  4.可旋转化学键数量:3

  5.互变异构体数量:5

  6.拓扑分子极性表面积63.1

  7.重原子数量:16

  8.表面电荷:0

  9.复杂度:245

  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：橙色粉末

  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）：156-160

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,12mmHg）：未确定

  7. 折射率(n20/D)：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）：未确定

  11. 蒸气压（kPa,55ºC）：未确定

  12. 饱和蒸气压（kPa,25ºC）：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

MSDS

Name: alpha-Pyridoin 99% Material Safety Data Sheet Synonym: CAS: 1141-06-6 Section 1 - Chemical Product MSDS Name:alpha-Pyridoin 99% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 1141-06-6 _-Pyridoin, 99% 214-526-5 Hazard Symbols: XI Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes, respiratory system and skin. Potential Health Effects The toxicological properties of this material have not been investigated. Use appropriate procedures to prevent opportunities for direct contact with the skin or eyes and to prevent inhalation. Section 4 - FIRST AID MEASURES Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Skin: Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Inhalation: Remove from exposure and move to fresh air immediately. Notes to Physician: Section 5 - FIRE FIGHTING MEASURES General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Extinguishing Media: In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable container for disposal. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation. Storage: Store in a cool, dry place. Keep container closed when not in use. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate general or local exhaust ventilation to keep airborne concentrations below the permissible exposure limits. Use process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels. Exposure Limits CAS# 1141-06-6: Personal Protective Equipment Eyes: Wear safety glasses and chemical goggles if splashing is possible. Skin: Wear appropriate protective gloves and clothing to prevent skin exposure. Clothing: Wear appropriate protective clothing to minimize contact with skin. Respirators: Wear a NIOSH/MSHA or European Standard EN 149 approved full-facepiece airline respirator in the positive pressure mode with emergency escape provisions. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Crystalline powder Color: red-brown Odor: None reported. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: @ 760.00mm Hg Freezing/Melting Point: 156.00 - 160.00 deg C Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C12H10N2O2 Molecular Weight: 214.22 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, strong oxidants. Incompatibilities with Other Materials: Not available. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, nitrogen. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 1141-06-6 unlisted. LD50/LC50: Not available. Carcinogenicity: _-Pyridoin, 99% - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XI Risk Phrases: R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 1141-06-6: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 1141-06-6 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 1141-06-6 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 符号: GHS07
• 信号词: Warning
• 危害声明: H315-H319-H335
• 警示性声明: P261-P305 + P351 + P338
• 个人防护装备: dust mask type N95 (US);Eyeshields;Gloves
• 危害码 (欧洲): Xi
• 风险声明 (欧洲): 36/37/38
• 安全声明 (欧洲): 26-37/39
• 危险品运输编码: NONH for all modes of transport
• WGK德国: 3
• 海关编码: 2933399090

合成路线

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海关

海关编码	2933399090
中文概述	2933399090. 其他结构含非稠合吡啶环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素	品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
Summary	2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%