100516-88-9

• 常用中文名：6-羟甲基喹啉
• 常用英文名：6-Quinolinylmethanol
• CAS号：100516-88-9
• 分子式：C₁₀H₉NO
• 分子量：159.185
• 发布时间：2018-09-19 10:41:51
• 更新时间：2024-01-02 10:40:18

名称

• 中文名: 6-羟甲基喹啉
• 英文名: 6-Quinolinylmethanol
• 中文别名: (喹啉-6-基)甲醇
• 英文别名: quinolin-6-ylmethanol; 6-Quinolinemethanol; 6-Quinolinylmethanol

物化性质

• 密度: 1.2±0.1 g/cm3
• 沸点: 334.8±17.0 °C at 760 mmHg
• 熔点: 79-80ºC
• 分子式: C₁₀H₉NO
• 分子量: 159.185
• 闪点: 156.3±20.9 °C
• 精确质量: 159.068420
• PSA: 33.12000
• LogP: 0.90
• 外观性状: 粉红色固体
• 蒸汽压: 0.0±0.8 mmHg at 25°C
• 折射率: 1.667
• 储存条件: 室温，干燥
• 分子结构:

  1、 摩尔折射率：48.63

  2、 摩尔体积（cm³/mol）：130.5

  3、 等张比容（90.2K）：358.7

  4、 表面张力（dyne/cm）：56.9

  5、 极化率（10-24cm3）：19.28

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:1

  3.氢键受体数量:2

  4.可旋转化学键数量:1

  5.互变异构体数量:无

  6.拓扑分子极性表面积33.1

  7.重原子数量:12

  8.表面电荷:0

  9.复杂度:149

  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. 熔点（ºC）：79~80

MSDS

Name: 6-Quinolinylmethanol Material Safety Data Sheet Synonym: None Known CAS: 100516-88-9 Section 1 - Chemical Product MSDS Name:6-Quinolinylmethanol Material Safety Data Sheet Synonym:None Known Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 100516-88-9 6-Quinolinylmethanol 97+ 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. May be harmful if absorbed through the skin. Ingestion: May cause gastrointestinal irritation with nausea, vomiting and diarrhea. May be harmful if swallowed. Inhalation: Causes respiratory tract irritation. May be harmful if inhaled. Chronic: No information found. 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. 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. 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 appropriate foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Avoid generating dusty conditions. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Minimize dust generation and accumulation. 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 tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store under an inert atmosphere. 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# 100516-88-9: 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: A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Solid Color: pink Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 58-60 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: C10H9NO Molecular Weight: 159.19 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable at room temperature in closed containers under normal storage and handling conditions. Conditions to Avoid: Dust generation. Incompatibilities with Other Materials: Oxidizing agents, acids, acid chlorides, halogenated agents. Hazardous Decomposition Products: Carbon monoxide, oxides of nitrogen, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 100516-88-9 unlisted. LD50/LC50: Not available. Carcinogenicity: 6-Quinolinylmethanol - 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 6 Keep under nitrogen. S 24/25 Avoid contact with skin and eyes. 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# 100516-88-9: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 100516-88-9 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 100516-88-9 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): Xi:Irritant;
• 风险声明 (欧洲): R36/37/38
• 海关编码: 2933499090

合成路线

38896-30-9 ~93% 100516-88-9

文献：THE REGENTS OF THE UNIVERSITY OF CALIFORNIA Patent: WO2009/75778 A2, 2009 ; Location in patent: Page/Page column 49-50 ;

73987-38-9 ~93% 100516-88-9

文献：Tsunoda, Hidetoshi; Fukazawa, Nobuyuki; Nagase, Hiroshi; Chiba, Kyoko; Nakao, Toshifumi; Asada, Noriaki; Yamaki, Toshifumi; Kibayashi, Kenji; Migita, Hideyuki; Morikawa, Maki Patent: US2003/212100 A1, 2003 ;

4113-04-6 ~% 100516-88-9

文献：Zhurnal Obshchei Khimii, , vol. 23, p. 1696,1697; engl. Ausg.S.1785, 1787;vgl. E I 306

77934-75-9 ~% 118-90-1 100516-88-9

文献：Tetrahedron Letters, , vol. 21, p. 4917 - 4920

上下游产品

上游产品  4
38896-30-9 73987-38-9 4113-04-6 77934-75-9
下游产品  8
38896-30-9 99071-54-2 101279-39-4 103983-94-4
4113-04-6 2644-82-8 956907-14-5 99361-10-1

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%