中文名 | 2-异丙基-6-甲基-4-嘧啶醇 |
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英文名 | 6-methyl-2-propan-2-yl-1H-pyrimidin-4-one |
中文别名 |
2-异丙基-4-甲基-6-羟基嘧啶
安石榴苷 2-异丙基-6-甲基-4-吡啶醇 |
英文别名 |
2-Isopropyl-6-methyl-4-hydroxypyrimidine
2-Isopropyl-6-methylpyrimidin-4(3H)-one EINECS 220-561-7 6-hydroxy-2-isopropyl-4-methylpyrimidine 2-ISOPROPYL-6-METHYL-4-PYRIMIDONE 6-methyl-2-(propan-2-yl)pyrimidin-4(1H)-one 4-Pyrimidinol, 6-methyl-2-(1-methylethyl)- pyrimidinol 4(1H)-Pyrimidinone,6-methyl-2-(1-methylethyl) 4-hydroxy-2-isopropyl-6-methyl-pyrimidine IMHP 6-methyl-2-(propan-2-yl)pyrimidin-4-ol 6-methyl-2-(1-methylethyl)pyrimidin-4(1H)-one 6-Pyrimidinol,2-isopropyl-4-methyl 2-isopropyl-4-hydroxy-6-methylpyrimidine 2-Isopropyl-6-methyl-4(1H)-pyrimidinone 4(3H)-pyrimidinone, 6-methyl-2-(1-methylethyl)- 2-Isopropyl-6-methylpyrimidin-4(1H)-one 2-Isopropyl-6-methylpyrimidin-4-ol 2-Isopropyl-4-methyl-6-hydroxypyrimidine MFCD00044811 4(1H)-pyrimidinone, 6-methyl-2-(1-methylethyl)- 2-Isopropyl-6-methyl-4-pyrimidinol |
密度 | 1.1±0.1 g/cm3 |
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沸点 | 244.3±20.0 °C at 760 mmHg |
熔点 | 172-175 °C(lit.) |
分子式 | C8H12N2O |
分子量 | 152.194 |
闪点 | 101.6±21.8 °C |
精确质量 | 152.094955 |
PSA | 46.01000 |
LogP | 0.50 |
外观性状 | 固体;White to Light yellow powder to crystal |
蒸汽压 | 0.0±0.5 mmHg at 25°C |
折射率 | 1.528 |
储存条件 | 密封储存,储存于阴凉、干燥的库房。 |
稳定性 | 常温常压下稳定,避免与氧化剂接触。 |
计算化学 | 1.疏水参数计算参考值(XlogP):0.7 2.氢键供体数量:1 3.氢键受体数量:1 4.可旋转化学键数量:1 5.互变异构体数量:9 6.拓扑分子极性表面积41.5 7.重原子数量:11 8.表面电荷:0 9.复杂度:239 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:米色针状固体 2. 密度(g/mL,25℃):未确定 3. 相对蒸汽密度(g/mL,空气=1):未确定 4. 熔点(ºC):172-175 5. 沸点(ºC,常压):未确定 6. 沸点(ºC,5mmHg):未确定 7. 折射率(n20/D):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(mPa,20ºC):未确定 12. 饱和蒸气压(kPa,25ºC):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:不溶于水 |
Synonym:6-Methyl-2-(1-Methylethyl)-4(1H)-Pyrimidinone; 2-Isopropyl-4-Methyl-6-Oxypyrimidine; 2-Isopropyl-6-Methyl-3H-Pyrimidin-4-One Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Ingestion: May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. Inhalation: May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Chronic: No information found. 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. 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: 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. Runoff from fire control or dilution water may cause pollution. Extinguishing Media: Use agent most appropriate to extinguish fire. 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: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Storage: Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. 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 process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels. Exposure Limits CAS# 2814-20-2: 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 minimize contact with skin. 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: Needles Color: beige Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 172.00 - 174.00 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: C8H12N2O Molecular Weight: 152.20 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, dust generation, excess heat, strong oxidants. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 2814-20-2: UW7525000 LD50/LC50: CAS# 2814-20-2: Oral, mouse: LD50 = 2200 mg/kg; Oral, rat: LD50 = 2700 mg/kg. Carcinogenicity: 2-Isopropyl-6-Methyl-4-Pyrimidinol - Not listed by ACGIH, IARC, or NTP. Other: See actual entry in RTECS for complete information. 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 Shipping Name: Not regulated. Hazard Class: UN Number: Packing Group: IMO Shipping Name: Not regulated. Hazard Class: UN Number: Packing Group: RID/ADR Shipping Name: Not regulated. Hazard Class: UN Number: Packing group: 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# 2814-20-2: No information available. Canada CAS# 2814-20-2 is listed on Canada's NDSL List. CAS# 2814-20-2 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 2814-20-2 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A |
毒理学数据: 1、 急性毒性:大鼠经口LD50:2700mg/kg;小鼠经口LD50:2200mg/kg; 2、其他多剂量毒性:大鼠经口TDLo:7800mg/kg/6W-I; CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
|
符号 |
GHS07 |
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信号词 | Warning |
危害声明 | H315-H319-H335 |
警示性声明 | P261-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) | S26-S37/39 |
危险品运输编码 | NONH for all modes of transport |
WGK德国 | 2 |
RTECS号 | UW7525000 |
海关编码 | 2933599090 |
上游产品 2 | |
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下游产品 5 | |
海关编码 | 2933599090 |
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中文概述 | 2933599090. 其他结构上有嘧啶环的化合物(包括其他结构上有哌嗪环的化合物. 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 | 2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |