17874-79-2

• 常用中文名：5-甲氧羰基-2-吡啶甲酸
• 常用英文名：5-(Methoxycarbonyl)-2-pyridinecarboxylic acid
• CAS号：17874-79-2
• 分子式：C₈H₇NO₄
• 分子量：181.145
• 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：2018-04-19 08:00:00
• 更新时间：2024-01-10 12:28:13

名称

• 中文名: 5-(甲氧羰基)-2-吡啶羧酸
• 英文名: 5-(Methoxycarbonyl)-2-pyridinecarboxylic acid
• 中文别名: 5-甲氧羰基-2-吡啶甲酸; 5-(甲氧羰基)-2-吡啶甲酸
• 英文别名: 5-(Methoxycarbonyl)picolinic acid; MFCD00179343; 5-methoxycarbonylpyridine-2-carboxylic acid; 2,5-Pyridinedicarboxylic acid, 5-methyl ester; 5-(Methoxycarbonyl)-2-pyridinecarboxylic acid; 5-(methoxycarbonyl)pyridine-2-carboxylic acid

物化性质

• 密度: 1.4±0.1 g/cm3
• 沸点: 347.9±27.0 °C at 760 mmHg
• 熔点: 187 °C
• 分子式: C₈H₇NO₄
• 分子量: 181.145
• 闪点: 164.2±23.7 °C
• 精确质量: 181.037506
• PSA: 76.49000
• LogP: 0.49
• 外观性状: 固体
• 蒸汽压: 0.0±0.8 mmHg at 25°C
• 折射率: 1.560
• 储存条件: 室温， 惰性气体
• 分子结构:

  1、 摩尔折射率：43.04

  2、 摩尔体积（m³/mol）：133.0

  3、 等张比容（90.2K）：368.3

  4、 表面张力（dyne/cm）：58.7

  5、 极化率（10^-24cm³）：17.06

• 计算化学:

  1.疏水参数计算参考值（XlogP）:0.6

  2.氢键供体数量:1

  3.氢键受体数量:5

  4.可旋转化学键数量:3

  5.互变异构体数量:无

  6.拓扑分子极性表面积76.5

  7.重原子数量:13

  8.表面电荷:0

  9.复杂度:216

  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：不确定

  2. 密度（g/mL,25/4℃）：不确定

  3. 相对蒸汽密度（g/mL,空气=1）：不确定

  4. 熔点（ºC）：187

  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

MSDS

Name: 5-(Methoxycarbonyl)pyridine-2-carboxylic acid 95+% Material Safety Data Sheet Synonym: CAS: 17874-79-2 Section 1 - Chemical Product MSDS Name:5-(Methoxycarbonyl)pyridine-2-carboxylic acid 95+% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 17874-79-2 5-(Methoxycarbonyl)pyridine-2-carboxyl 95+% unlisted Hazard Symbols: XI Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: Causes respiratory tract irritation. May be harmful if inhaled. Chronic: Not available. 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. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Get medical aid. Wash mouth out with water. 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: Treat symptomatically and supportively. 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, dry chemical, carbon dioxide, or chemical foam. 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. Section 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Storage: Store in a cool, dry place. Store in a tightly closed container. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 17874-79-2: Personal Protective Equipment Eyes: Not available. 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: slight pink Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 187 - 189 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: C8H7NO4 Molecular Weight: 181 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Oxidizing agents, reducing agents, bases, amines. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 17874-79-2 unlisted. LD50/LC50: Not available. Carcinogenicity: 5-(Methoxycarbonyl)pyridine-2-carboxylic acid - 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 No information available. IMO No information available. RID/ADR No information available. 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 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 Wear suitable gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 17874-79-2: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 17874-79-2 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 17874-79-2 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): Xn:Harmful;
• 风险声明 (欧洲): R22;R36/37/38
• 安全声明 (欧洲): S26-S36/37/39-S22
• 海关编码: 2933399090

合成路线

881-86-7 ~90% 17874-79-2

文献：Oila, Markku J.; Tois, Jan E.; Koskinen, Ari M.P. Tetrahedron Letters, 2005 , vol. 46, # 6 p. 967 - 969

100-26-5 ~% 17874-79-2

文献：Journal of the American Chemical Society, , vol. 127, # 34 p. 11914 - 11915

上下游产品

上游产品  2
881-86-7 100-26-5
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7377-26-6 169124-35-0 153559-92-3 153559-44-5
153559-50-3 39977-41-8

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%