54950-20-8

• 常用中文名：烟酰乙酸甲酯
• 常用英文名：Methyl (3-pyridinecarbonyl)acetate
• CAS号：54950-20-8
• 分子式：C₉H₉NO₃
• 分子量：179.173
• 发布时间：2018-03-25 08:00:00
• 更新时间：2024-01-08 16:27:46

名称

• 中文名: 烟酰乙酸甲酯
• 英文名: Methyl nicotinoylacetate
• 英文别名: 3-Pyridinepropanoic acid, β-oxo-, methyl ester; methyl 3-oxo-3-(pyridin-3-yl)propanoate; Methyl (3-pyridinecarbonyl)acetate; MFCD00216524; Methyl 3-oxo-3-(3-pyridinyl)propanoate; methyl 3-oxo-3-pyridin-3-ylpropanoate

物化性质

• 密度: 1.2±0.1 g/cm3
• 沸点: 283.1±15.0 °C at 760 mmHg
• 熔点: 34-42 °C
• 分子式: C₉H₉NO₃
• 分子量: 179.173
• 闪点: 125.0±20.4 °C
• 精确质量: 179.058243
• PSA: 56.26000
• LogP: 0.14
• 外观性状: 白色至粉红色-褐色结晶粉末
• 蒸汽压: 0.0±0.6 mmHg at 25°C
• 折射率: 1.515
• 储存条件:

  密闭于2-8 ºC阴凉干燥环境中

• 稳定性:

  遵照规定使用和储存则不会分解。

• 水溶解性: neglegible
• 分子结构:

  1、 摩尔折射率：45.41

  2、 摩尔体积（m³/mol）：150.6

  3、 等张比容（90.2K）：390.9

  4、 表面张力（dyne/cm）：45.2

  5、 极化率（10 ^-24cm ³）：18.00

• 计算化学:

  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:4

  4.可旋转化学键数量:4

  5.互变异构体数量:3

  6.拓扑分子极性表面积56.3

  7.重原子数量:13

  8.表面电荷:0

  9.复杂度:203

  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

• 更多:

  1. 性状：固体

  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）：34-42

  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

Name: Methyl nicotinoylacetate Material Safety Data Sheet Synonym: None CAS: 54950-20-8 Section 1 - Chemical Product MSDS Name:Methyl nicotinoylacetate Material Safety Data Sheet Synonym:None Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 54950-20-8 Methylnicotinoyl acetate 100.0 unlisted Hazard Symbols: None Listed. Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Ingestion: Ingestion of large amounts may cause gastrointestinal irritation. Inhalation: May cause respiratory tract irritation. Chronic: No information found. Section 4 - FIRST AID MEASURES Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Ingestion: If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid. Inhalation: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Notes to Physician: Antidote: None reported. 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. Extinguishing Media: Use water spray or dry chemical. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Storage: Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Good general ventilation should be sufficient to control airborne levels. Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Exposure Limits CAS# 54950-20-8: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Solid Color: Not available. Odor: Not available. pH: Not available. Vapor Pressure: Negligible Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 39 - 42 deg C Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: N/A Explosion Limits, upper: N/A Decomposition Temperature: Solubility in water: neglegible in water Specific Gravity/Density: Molecular Formula: Molecular Weight: 179.17 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: High temperatures. Incompatibilities with Other Materials: Strong oxidizing agents, acids, bases. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 54950-20-8 unlisted. LD50/LC50: Not available. Carcinogenicity: Methylnicotinoyl acetate - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Other No information available. 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: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 54950-20-8: No information available. Canada CAS# 54950-20-8 is listed on Canada's NDSL List. CAS# 54950-20-8 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 54950-20-8 is listed on the TSCA inventory. 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

• 危害码 (欧洲): Xi: Irritant;
• 风险声明 (欧洲): R25;R35
• 安全声明 (欧洲): S24/25
• 危险品运输编码: UN 3261 8/PG 2
• 海关编码: 2933399090

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%