7598-26-7

• 常用中文名：2-氨基-5-甲基-3-硝基吡啶
• 常用英文名：Methyl 3-amino-2-pyrazinecarboxylate
• CAS号：7598-26-7
• 分子式：C₆H₇N₃O₂
• 分子量：153.139
• 相关类别： 医药中间体 杂环化合物 吡啶类化合物 硝基吡啶
• 发布时间：2018-12-30 18:13:36
• 更新时间：2024-01-22 00:11:23

名称

• 中文名: 5-甲基-2-氨基-3-硝基吡啶
• 英文名: 5-Methyl-3-nitropyridin-2-amine
• 中文别名: 2-氨基-3-硝基-5-甲基吡啶
• 英文别名: 2-Amino-3-nitro-5-picoline; 5-Methyl-3-nitropyridin-2-amin; 5-Methyl-3-nitro-2-pyridinamine; 5-Methyl-3-nitropyridin-2-amine; 2-Pyrazinecarboxylic acid, 3-amino-, methyl ester; 2-Pyridinamine, 5-methyl-3-nitro-; methyl 3-aminopyrazine-2-carboxylate; Methyl 3-amino-2-pyrazinecarboxylate; MFCD00047442

物化性质

• 密度: 1.4±0.1 g/cm3
• 沸点: 318.9±37.0 °C at 760 mmHg
• 熔点: 189-193 °C
• 分子式: C₆H₇N₃O₂
• 分子量: 153.139
• 闪点: 146.7±26.5 °C
• 精确质量: 153.053833
• PSA: 84.73000
• LogP: 2.08
• 外观性状: 黄色至棕色固体
• 蒸汽压: 0.0±0.7 mmHg at 25°C
• 折射率: 1.625
• 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，避免与不相容材料，热源，火焰接触。 与强氧化剂，酸，酸性氯化物，酸酐反应。
• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.2

  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:0

  5.互变异构体数量:2

  6.拓扑分子极性表面积84.7

  7.重原子数量:11

  8.表面电荷:0

  9.复杂度:156

  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：赭色结晶性粉末

  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）：189-192

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC，14mmHg）：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（mmHg,217ºC）：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: 6-Amino-5-nitro-3-picoline Material Safety Data Sheet Synonym: 2-Amino-5-methyl-3-nitropyridine CAS: 7598-26-7 Section 1 - Chemical Product MSDS Name:6-Amino-5-nitro-3-picoline Material Safety Data Sheet Synonym:2-Amino-5-methyl-3-nitropyridine Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 7598-26-7 6-Amino-5-nitro-3-picoline 100 unlisted Hazard Symbols: XN Risk Phrases: 20/21/22 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Harmful by inhalation, in contact with skin and if swallowed. Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. Harmful if absorbed through the skin. Ingestion: Harmful if swallowed. May cause irritation of the digestive tract. Inhalation: Harmful if inhaled. Causes 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. 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. 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. Avoid generating dusty conditions. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Minimize dust generation and accumulation. 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# 7598-26-7: 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: Powder Color: off-white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: Not available. 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: C6H7N3O2 Molecular Weight: 153.14 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, excess heat, exposure to flame. Incompatibilities with Other Materials: Strong oxidizing agents, acids, acid chlorides, acid anhydrides. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Will not occur. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 7598-26-7 unlisted. LD50/LC50: Not available. Carcinogenicity: 6-Amino-5-nitro-3-picoline - 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 Shipping Name: TOXIC SOLID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2811 Packing Group: III IMO Shipping Name: TOXIC SOLID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2811 Packing Group: III RID/ADR Shipping Name: TOXIC SOLID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2811 Packing group: III Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XN Risk Phrases: R 20/21/22 Harmful by inhalation, in contact with skin and if swallowed. R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 22 Do not breathe dust. S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 Wear suitable protective clothing, gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 7598-26-7: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 7598-26-7 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 7598-26-7 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): R36/37/38
• 安全声明 (欧洲): S36/37/39-S26-S22
• 海关编码: 2933399090

合成路线

1603-41-4 ~26% 7598-26-7

文献：CHEMOCENTRYX, INC. Patent: WO2006/76644 A2, 2006 ; Location in patent: Page/Page column 204 ; WO 2006/076644 A2

91752-76-0 71090-35-2 ~41% 7598-26-7

文献：Troschutz; Luckel Archiv der Pharmazie, 1992 , vol. 325, # 12 p. 785 - 789

7464-15-5 ~28% 7598-26-7

文献：Sepiol, Jadwiga; Tomasik, Piotr Acta Chimica Hungarica, 1986 , vol. 121, # 4 p. 333 - 338

上下游产品

上游产品  4
1603-41-4 91752-76-0 71090-35-2 7464-15-5
下游产品  4
3430-19-1 23056-46-4 24638-29-7 7463-59-4

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%