38896-30-9

• 常用中文名：6-喹啉羧酸甲酯
• 常用英文名：Methyl quinoline-6-carboxylate
• CAS号：38896-30-9
• 分子式：C₁₁H₉NO₂
• 分子量：187.195
• 相关类别： 医药中间体 杂环化合物 喹啉类化合物
• 发布时间：2018-06-18 16:50:23
• 更新时间：2024-01-02 20:47:05

名称

• 中文名: 6-喹啉羧酸甲酯
• 英文名: Methyl Quinoline-6-Carboxylate
• 中文别名: 喹啉-6-甲酸甲酯; 6-喹啉甲酸甲酯
• 英文别名: 6-Quinolinecarboxylic Acid Methyl Ester; Methyl 6-quinolinecarboxylate; 6-Quinolinecarboxylic acid, methyl ester; Methyl quinoline-6-carboxylate; MFCD00956766

物化性质

• 密度: 1.2±0.1 g/cm3
• 沸点: 315.1±15.0 °C at 760 mmHg
• 熔点: 88 °C
• 分子式: C₁₁H₉NO₂
• 分子量: 187.195
• 闪点: 144.4±20.4 °C
• 精确质量: 187.063324
• PSA: 39.19000
• LogP: 2.11
• 外观性状: 固体;White to Light yellow to Dark green powder to crystal
• 蒸汽压: 0.0±0.7 mmHg at 25°C
• 折射率: 1.615
• 储存条件:

  密封、阴凉、干燥保存

• 稳定性:

  常规情况下不会分解，没有危险反应

• 水溶解性: 可溶于：甲醇
• 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:3

  4.可旋转化学键数量:2

  5.互变异构体数量:无

  6.拓扑分子极性表面积39.2

  7.重原子数量:14

  8.表面电荷:0

  9.复杂度:217

  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：未确定

  2. 密度（g/mL,20 ºC）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）： 未确定

  4. 熔点（ºC）：88

  5. 沸点（ºC）：未确定

  6. 沸点（ºC,16mm hg）：未确定

  7. 折射率：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,25ºC）：未确定

  12. 饱和蒸气压（kPa,60ºC）： 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: Methyl quinoline-6-carboxylate 97% Material Safety Data Sheet Synonym: CAS: 38896-30-9 Section 1 - Chemical Product MSDS Name:Methyl quinoline-6-carboxylate 97% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 38896-30-9 Methyl quinoline-6-carboxylate 97% unlisted Hazard Symbols: None Listed. Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Not available. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: May cause 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. 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: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 38896-30-9: 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: light brown Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 85 - 86 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: C11H9NO2 Molecular Weight: 187 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide, ammonia. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 38896-30-9 unlisted. LD50/LC50: Not available. Carcinogenicity: Methyl quinoline-6-carboxylate - 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: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 38896-30-9: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 38896-30-9 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 38896-30-9 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: 对水是稍微有危害的不要让未稀释或大量的产品接触地下水、水道或者污水系统，若无政府许可，勿将材料排入周围环境。

安全

• 危害码 (欧洲): Xi: Irritant;
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S26-S36/37/39
• 海关编码: 2933499090

合成路线

67-56-1 10349-57-2 ~99% 38896-30-9

文献：Abe, Hideki; Sato, Akimi; Tokishita, Shin-Ichi; Ohta, Toshihiro; Ito, Hisanaka Heterocycles, 2011 , vol. 83, # 7 p. 1649 - 1658

67-56-1 612-57-7 201230-82-2 ~76% 38896-30-9

文献：Watson, Donald A.; Fan, Xuexiang; Buchwald, Stephen L. Journal of Organic Chemistry, 2008 , vol. 73, # 18 p. 7096 - 7101

74-98-6 173089-80-0 ~% 38896-30-9

文献：Hoechst Aktiengesellschaft Patent: US6093729 A1, 2000 ; US 6093729 A

14002-34-7 619-50-1 ~42% 38896-30-9

文献：Cho, Chan Sik; Lee, Na Young; Choi, Heung-Jin; Kim, Tae-Jeong; Shim, Sang Chul Journal of Heterocyclic Chemistry, 2003 , vol. 40, # 5 p. 929 - 932

10349-57-2 530-62-1 ~% 38896-30-9

文献：Agejas-Chicharro, Javier; Belen Bueno Melendo, Ana; Camp, Nicholas Paul; Gilmore, Jeremy; Jimenez-Aguado, Alma Maria; Lamas-Peteira, Carlos; Marcos-Llorente, Alicia; Mazanetz, Michael Philip; Montero Salgado, Carlos; Timms, Graham Henry; Williams, Andrew Caerwyn Patent: US2004/122001 A1, 2004 ; US 20040122001 A1

186581-53-3 10349-57-2 ~% 38896-30-9

文献：Elderfield; Siegel Journal of the American Chemical Society, 1951 , vol. 73, p. 5622,5627

67-56-1 100516-88-9 ~91% 38896-30-9

文献：Jagadeesh, Rajenahally V.; Junge, Henrik; Pohl, Marga-Martina; Radnik, Joerg; Brueckner, Angelika; Beller, Matthias Journal of the American Chemical Society, 2013 , vol. 135, # 29 p. 10776 - 10782

150-13-0 ~% 38896-30-9

文献：RHIZEN PHARMACEUTICALS SA; INCOZEN THERAPEUTICS PVT. LTD.; VAKKALANKA, Swaroop Kumar Venkata Satya; NAGARATHNAM, Dhanapalan; VISWANADHA, Srikant; MUTHUPPALANIAPPAN, Meyyappan; BABU, Govindarajulu; BHAVAR, Prashant K Patent: WO2013/144737 A2, 2013 ;

上下游产品

上游产品  10
67-56-1 10349-57-2 612-57-7 201230-82-2
74-98-6 173089-80-0 14002-34-7 619-50-1
530-62-1 186581-53-3
下游产品  9
386207-77-8 1065092-81-0 5382-47-8 849807-09-6
99071-54-2 100516-88-9 177478-49-8 23395-72-4
956907-14-5

海关

海关编码	2933499090
中文概述	2933499090. 其他含喹琳或异喹啉环系的化合物〔但未进一步稠合的〕. 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	2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%