39745-39-6

• 常用中文名：2-羟基-6-甲基-3-硝基吡啶
• 常用英文名：6-methyl-3-nitropyridin-2-ol
• CAS号：39745-39-6
• 分子式：C₆H₆N₂O₃
• 分子量：154.123
• 相关类别： 医药中间体 杂环化合物 吡啶类化合物 羟基吡啶
• 发布时间：2018-11-28 23:07:00
• 更新时间：2024-01-02 10:47:08
• 下载msds

名称

• 中文名: 2-羟基-3-硝基-6-甲基吡啶
• 英文名: 6-Hydroxy-5-nitro-2-picoline
• 中文别名: 2-羟基-6-甲基-3-硝基吡啶; 6-羟基-5-硝基-2-甲基吡啶; 6-甲基-3-硝基-2-羟基吡啶; 6-甲基-3-硝基-2(1H)-吡啶酮; 6-羟基-5-硝基-2-皮考林
• 英文别名: 6-methyl-3-nitropyridin-2-ol; 2(1H)-Pyridinone, 6-methyl-3-nitro-; 6-Methyl-3-nitropyridin-2(1H)-on; 6-Methyl-3-nitropyridin-2(1H)-one; 2-Hydroxy-6-methyl-3-nitropyridine; 6-Methyl-3-nitro-2(1H)-pyridinone; 6-Methyl-3-nitro-2-pyridinol; MFCD03001414; 6-methyl-3-nitro-1H-pyridin-2-one

物化性质

• 密度: 1.4±0.1 g/cm3
• 沸点: 326.0±37.0 °C at 760 mmHg
• 熔点: 222-226ºC
• 分子式: C₆H₆N₂O₃
• 分子量: 154.123
• 闪点: 150.9±26.5 °C
• 精确质量: 154.037842
• PSA: 78.94000
• LogP: 0.15
• 外观性状: 淡黄色固体
• 蒸汽压: 0.0±0.7 mmHg at 25°C
• 折射率: 1.605
• 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：37.59

  2、 摩尔体积（m³/mol）：109.2

  3、 等张比容（90.2K）：309.5

  4、 表面张力（dyne/cm）：64.5

  5、 极化率（10 ^-24cm ³）：14.90

• 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:3

  4.可旋转化学键数量:0

  5.互变异构体数量:7

  6.拓扑分子极性表面积74.9

  7.重原子数量:11

  8.表面电荷:0

  9.复杂度:272

  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：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）：225-226

  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: 6-Hydroxy-5-Nitro-2-Picoline Material Safety Data Sheet Synonym: None Known CAS: 39745-39-6 Section 1 - Chemical Product MSDS Name:6-Hydroxy-5-Nitro-2-Picoline Material Safety Data Sheet Synonym:None Known Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 39745-39-6 6-Hydroxy-5-Nitro-2-Picoline ca. 100 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. May cause chemical conjunctivitis. Skin: Causes skin irritation. Ingestion: May cause gastrointestinal irritation with nausea, vomiting and diarrhea. Inhalation: Causes respiratory tract irritation. Can produce delayed pulmonary edema. Chronic: Effects may be delayed. 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. Get medical aid. 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: Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. 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. Do NOT use mouth-to-mouth resuscitation. 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. 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. Clean up spills immediately, observing precautions in the Protective Equipment section. 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 eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse. 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# 39745-39-6: 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: Not available. 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: C6H6N2O3 Molecular Weight: 154 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable at room temperature in closed containers under normal storage and handling conditions. Conditions to Avoid: Incompatible materials, dust generation, excess heat. Incompatibilities with Other Materials: Oxidizing agents, strong bases. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 39745-39-6 unlisted. LD50/LC50: Not available. Carcinogenicity: 6-Hydroxy-5-Nitro-2-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 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 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# 39745-39-6: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 39745-39-6 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 39745-39-6 is not listed on the TSCA inventory. It is for research and development use only. 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

• 符号: GHS05, GHS07
• 信号词: Danger
• 危害声明: H302-H315-H318-H335
• 警示性声明: P261-P280-P305 + P351 + P338
• 个人防护装备: dust mask type N95 (US);Eyeshields;Gloves
• 危害码 (欧洲): Xi:Irritant;
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S37/39-S26
• 危险品运输编码: NONH for all modes of transport
• 海关编码: 2933399090

合成路线

21901-29-1 ~76% 39745-39-6

文献：Beijing Yiling Bioengineering Co., Ltd. Patent: EP2366691 A1, 2011 ; Location in patent: Page/Page column 11 ;

21901-29-1 ~% 39745-39-6 56057-19-3

文献：Parker; Shive Journal of the American Chemical Society, 1947 , vol. 69, p. 63,66

14011-21-3 41125-09-1 ~24% 39745-39-6

文献：Norman; Chen; Fotsch; Hale; Han; Hurt; Jenkins; Kincaid; Liu; Lu; Moreno; Santora; Sonnenberg; Karbon Journal of Medicinal Chemistry, 2000 , vol. 43, # 22 p. 4288 - 4312

1824-81-3 ~% 39745-39-6

文献：Beijing Yiling Bioengineering Co., Ltd. Patent: EP2366691 A1, 2011 ;

109-06-8 ~% 39745-39-6

文献：Parker; Shive Journal of the American Chemical Society, 1947 , vol. 69, p. 63,66

56057-19-3 ~% 21203-68-9 39745-39-6

文献：Baumgarten et al. Journal of the American Chemical Society, 1954 , vol. 76, p. 596,598

70959-85-2 ~0% 39745-39-6 39073-14-8

文献：Troschutz; Karger Journal of Heterocyclic Chemistry, 1996 , vol. 33, # 6 p. 1815 - 1821

3279-76-3 ~% 39745-39-6

文献：Salemink; van der Want Recueil des Travaux Chimiques des Pays-Bas, 1949 , vol. 68, p. 1013,1024

上下游产品

上游产品  7
21901-29-1 14011-21-3 1824-81-3 109-06-8
56057-19-3 70959-85-2 3279-76-3
下游产品  6
56057-19-3 28489-45-4 313950-14-0 353277-27-7
179010-39-0 52334-79-9

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%