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| 中文名 | 5-氟喹啉-4-醇 |
|---|---|
| 英文名 | 5-Fluoroquinazolin-4(1H)-one |
| 中文别名 |
5-氟-4-喹唑啉酮
5-氟-4-喹唑酮 |
| 英文别名 |
5-fluoro-1H-quinazolin-4-one
4(3H)-Quinazolinone, 5-fluoro- 5-Fluoro-4-quinazolinol MFCD00173674 5-fluoroquinazolin-4-ol |
| 密度 | 1.5±0.1 g/cm3 |
|---|---|
| 沸点 | 328.2±22.0 °C at 760 mmHg |
| 熔点 | 238 °C |
| 分子式 | C8H5FN2O |
| 分子量 | 164.137 |
| 闪点 | 152.3±22.3 °C |
| 精确质量 | 164.038589 |
| PSA | 46.01000 |
| LogP | 0.35 |
| 蒸汽压 | 0.0±0.7 mmHg at 25°C |
| 折射率 | 1.672 |
| 储存条件 | 室温，干燥，密封 |
| 分子结构 | 1、 摩尔折射率：42.15 2、 摩尔体积（m3/mol）：112.6 3、 等张比容（90.2K）：321.5 4、 表面张力（dyne/cm）：66.4 5、 极化率（10 -24cm 3）：16.71 |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:0.8 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:0 5.互变异构体数量:3 6.拓扑分子极性表面积41.5 7.重原子数量:12 8.表面电荷:0 9.复杂度:229 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 | 一、物性数据 性状：不可用 密度（g/mL,25/4℃）：不可用 相对蒸汽密度（g/mL,空气=1）：不可用 熔点（ºC）：238 沸点（ºC,常压）：不可用 沸点（ºC,5.2kPa）：不可用 折射率：不可用 闪点（ºC）：不可用 比旋光度（º）：不可用 自燃点或引燃温度（ºC）：不可用 蒸气压（kPa,25ºC）：不可用 饱和蒸气压（kPa,60ºC）：不可用 燃烧热（KJ/mol）：不可用 临界温度（ºC）：不可用 临界压力（KPa）：不可用 油水（辛醇/水）分配系数的对数值：不可用 爆炸上限（%,V/V）：不可用 爆炸下限（%,V/V）：不可用 溶解性：不可用 |
Synonym:5-Fluoro-4-hydroxyquinazolin Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 20/21/22 22 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed. Harmful 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: 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: 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# 436-72-6: 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: off-white - yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 240 - 242 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: C8H5FN2O Molecular Weight: 164 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide, fluorine, hydrogen fluoride gas. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 436-72-6 unlisted. LD50/LC50: Not available. Carcinogenicity: 5-Fluoroquinazolin-4-ol - 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: XN Risk Phrases: R 20/21/22 Harmful by inhalation, in contact with skin and if swallowed. R 22 Harmful if swallowed. 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 36/37/39 Wear suitable protective clothing, gloves and eye/face protection. S 37/39 Wear suitable gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 436-72-6: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 436-72-6 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 436-72-6 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
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毒理学数据: 二、毒理学数据： 急性毒性：不可用。 生态学数据: 三、生态学数据： 1、其它有害作用：该物质对环境可能有危害，对水体应给予特别注意。
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| 危害码 (欧洲) | Xi: Irritant; |
|---|---|
| 风险声明 (欧洲) | 36/37/38 |
| 安全声明 (欧洲) | S26-S36/37/39 |
| 海关编码 | 2933990090 |
|
~86%
436-72-6 |
| 文献：Kulkarni, Shridhar S.; Singh, Satyakam; Shah, Janki R.; Low, Woon-Kai; Talele, Tanaji T. European Journal of Medicinal Chemistry, 2012 , vol. 50, p. 264 - 273 |
|
~%
436-72-6 |
| 文献：NOVARTIS AG; NOVARTIS PHARMA GMBH Patent: WO2008/12326 A1, 2008 ; Location in patent: Page/Page column 86-87 ; WO 2008/012326 A1 |
| 上游产品 4 | |
|---|---|
| 下游产品 3 | |
| 海关编码 | 2933990090 |
|---|---|
| 中文概述 | 2933990090. 其他仅含氮杂原子的杂环化合物. 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 | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
