5436-01-1
5436-01-1结构式
- 常用中文名：1-甲基-3,6-吡嗪二酮
- 常用英文名：3,6-Pyridazinedione,1,2-dihydro-1-methyl-
- CAS号：5436-01-1
- 分子式：C5H6N2O2
- 分子量：126.11300
- 发布时间：2018-12-06 20:34:00
- 更新时间：2024-01-10 18:40:14
| 中文名 | 1-甲基-3,6-(1H,2H)哌嗪二酮 |
|---|---|
| 英文名 | 3-hydroxy-1-methylpyridazin-6(1h)-one |
| 中文别名 | 1-甲基-3,6-吡嗪二酮 |
| 英文别名 |
6-hydroxy-2-methylpyridazin-3-one
MFCD00176268 6-hydroxy-2-methylpyridazin-3(2H)-one 1-METHYL-3,6-(1H,2H)PYRIDAZINEDIONE 6-hydroxy-2-methyl-3(2H)-pyridazinone 2-methyl-6-hydroxy-3(2H)-pyridazinone 2-Methyl-6-hydroxypyridazine-3(2H)-one 3-hydroxy-1-methyl-1,6-dihydropyridazin-6-one BUTTPARK 417-19 AURORA KA-267 2,3-dihydro-2-methyl-3-oxo-6-hydroxypyridazine N-Methylmaleic hydrazide N-METHYL PYRIDAZINEDIONE 3(2H)-pyridazinone,6-hydroxy-2-methyl 1,6-dihydro-3-hydroxy-1-methyl-6-oxo-pyridazine 3-hydroxy-1-methyl-6-pyridazinone |
| 密度 | 1.263g/cm3 |
|---|---|
| 沸点 | 260.1ºC at 760mmHg |
| 熔点 | 210-212 °C |
| 分子式 | C5H6N2O2 |
| 分子量 | 126.11300 |
| 闪点 | 111.1ºC |
| 精确质量 | 126.04300 |
| PSA | 55.12000 |
| 折射率 | 1.511 |
| 储存条件 | 常温，避光，阴凉干燥处，密封保存 |
| 稳定性 | 常温常压下稳定 |
| 分子结构 | 1、 摩尔折射率：29.93 2、 摩尔体积（m3/mol）：99.8 3、 等张比容（90.2K）：253.1 4、 表面张力（dyne/cm）：41.3 5、 极化率（10 -24cm 3）：11.86 |
| 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： 6、 拓扑分子极性表面积（TPSA）：49.4 7、 重原子数量：9 8、 表面电荷：0 9、 复杂度：185 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,25/4℃）：未确定 3. 相对蒸汽密度（g/mL,空气=1）：未确定 4. 熔点（ºC）：210-212 5. 沸点（ºC,常压）：未确定 6. 沸点（ºC,5.2kPa）：未确定 7. 折射率：未确定 8. 闪点（ºF）：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 |
Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
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: 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. Use only in a chemical fume hood. 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# 5436-01-1: 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: Crystalline powder Color: white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 210 - 212 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: C5H6N2O2 Molecular Weight: 126.12 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. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 5436-01-1 unlisted. LD50/LC50: Not available. Carcinogenicity: 1-Methyl-3,6-(1H,2H)-pyridazinedione - 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 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# 5436-01-1: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 5436-01-1 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 5436-01-1 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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生态学数据: 通常对水是不危害的，若无政府许可，勿将材料排入周围环境
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| 危害码 (欧洲) | Xn |
|---|---|
| 风险声明 (欧洲) | 44-36/37/38-20/21/22 |
| 安全声明 (欧洲) | S36/37/39-S26 |
| 海关编码 | 2933990090 |
|
~86%
5436-01-1 |
| 文献：Magano, Javier; Acciacca, Allison; Beylin, Vladimir; Spence, Julie; Dunn, Peter; Hughes, Mike Synthetic Communications, 2007 , vol. 37, # 20 p. 3569 - 3578 |
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~%
5436-01-1 |
| 文献：Helvetica Chimica Acta, , vol. 37, p. 837,848 |
|
~%
5436-01-1 |
| 文献：Helvetica Chimica Acta, , vol. 37, p. 837,848 |
| 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% |