28648-78-4

• 常用中文名：2-(4-嘧啶)丙二醛
• 常用英文名：2-(PYRIMIDIN-4-YL)MALONALDEHYDE
• CAS号：28648-78-4
• 分子式：C₇H₆N₂O₂
• 分子量：150.13500
• 相关类别： 化学试剂 有机试剂 脂肪醛（含缩醛，半缩醛）
• 发布时间：2018-10-03 04:02:32
• 更新时间：2024-01-10 13:47:39

名称

• 中文名: 2-(4-嘧啶)丙二醛
• 英文名: 2-pyrimidin-4-ylpropanedial
• 中文别名: 2-( 4-嘧啶)二甲醛
• 英文别名: 2-(4-pyrimidinyl)malondialdehyde; 2-(4-Pyrimidinyl)-Propanedial; 2-(Pyrimidinyl-4)-malondialdehyd; Pyrimidin-4-malonaldehyd; 2-(3,4-DIMETHOXY-PHENYL)-6-METHYL-IMIDAZO[1,2-A]; 2-(4-pyrimidyl)malondialdehyde; 2-(Pyrimidin-4-yl)malonaldehyde; 4-pyrimidinyl-propanedial; 4-Pyrimidyl-malondialdehyd; pyrimidin-4-yl-malonaldehyde; MFCD00216530; 2-(pyrimidin-4-yl)propanedial

物化性质

• 密度: 1.244g/cm3
• 沸点: 269.9ºC at 760mmHg
• 熔点: 227-232ºC
• 分子式: C₇H₆N₂O₂
• 分子量: 150.13500
• 闪点: 121.1ºC
• 精确质量: 150.04300
• PSA: 59.92000
• 外观性状: 米色至米色-褐色粉末
• 蒸汽压: 0.00705mmHg at 25°C
• 折射率: 1.525
• 储存条件:

  密闭于阴凉干燥环境中

• 稳定性:

  遵照规定使用和储存则不会分解。

• 分子结构:

  1、 摩尔折射率：36.99

  2、 摩尔体积（m³/mol）：120.5

  3、 等张比容（90.2K）：328.3

  4、 表面张力（dyne/cm）：54.9

  5、 极化率（10^-24cm³）：14.66

• 计算化学:

  1.疏水参数计算参考值（XlogP）:-0.6

  2.氢键供体数量:0

  3.氢键受体数量:4

  4.可旋转化学键数量:3

  5.互变异构体数量:4

  6.拓扑分子极性表面积59.9

  7.重原子数量:11

  8.表面电荷:0

  9.复杂度:141

  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：无可用

  2. 密度（g/mL,25/4℃）：无可用

  3. 相对蒸汽密度（g/mL,空气=1）：无可用

  4. 熔点（ºC）：227-232

  5. 沸点（ºC,常压）：无可用

  6. 沸点（ºC,5.2kPa）：无可用

  7. 折射率：无可用

  8. 闪点（ºC）：无可用

  9. 比旋光度（º）：无可用

  10. 自燃点或引燃温度（ºC）：无可用

  11. 蒸气压（kPa,25ºC）：无可用

  12. 饱和蒸气压（kPa,60ºC）：无可用

  13. 燃烧热（KJ/mol）：无可用

  14. 临界温度（ºC）：无可用

  15. 临界压力（KPa）：无可用

  16. 油水（辛醇/水）分配系数的对数值：无可用

  17. 爆炸上限（%,V/V）：无可用

  18. 爆炸下限（%,V/V）：无可用

  19. 溶解性：无可用

MSDS

Name: 2-(4-Pyrimidyl)malondialdehyde Material Safety Data Sheet Synonym: Non CAS: 28648-78-4 Section 1 - Chemical Product MSDS Name:2-(4-Pyrimidyl)malondialdehyde Material Safety Data Sheet Synonym:Non Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 28648-78-4 2-(4-Pyrimidyl)malondialdehyde ca. 100 unlisted Hazard Symbols: C Risk Phrases: 34 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Causes burns.Corrosive.The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: Causes eye burns. Skin: Causes skin burns. Ingestion: Causes gastrointestinal tract burns. May cause severe gastrointestinal tract irritation with nausea, vomiting and possible burns. The toxicological properties of this substance have not been fully investigated. Inhalation: Causes chemical burns to the respiratory tract. Chronic: Chronic inhalation and ingestion may cause effects similar to those of acute inhalation and ingestion. 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 immediately. Do NOT allow victim to rub eyes or keep eyes closed. Extensive irrigation with water is required (at least 30 minutes). Skin: Get medical aid immediately. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Destroy contaminated shoes. Ingestion: Do not induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid immediately. Inhalation: Get medical aid immediately. Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask. Notes to Physician: Antidote: None reported. 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, or 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. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Do not get in eyes, on skin, or on clothing. Keep container tightly closed. Do not ingest or inhale. Use only in a chemical fume hood. Discard contaminated shoes. Storage: Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Corrosives area. 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# 28648-78-4: 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. 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: Not available. Odor: Odorless pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 230.00 deg C dec Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: slightly soluble Specific Gravity/Density: Molecular Formula: C7H6N2O2 Molecular Weight: 150.14 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Unstable. Conditions to Avoid: Heating to decomposition. Incompatibilities with Other Materials: Acids (mineral, non-oxidizing, e.g. hydrochloric acid, hydrofluoric acid, muriatic acid, phosphoric acid), acids (mineral, oxidizing, e.g. chromic acid, hypochlorous acid, nitric acid, sulfuric acid), acids (organic, e.g. acetic acid, benzoic acid, formic acid, methanoic acid, oxalic acid), amines (aliphatic and aromatic, e.g. dimethyl amine, propylamine, pyridine, triethylamine), azo, diazo, and hydrazines (e.g. dimethyl hydrazine, hydrazine, methyl hydrazine), caustics (e.g. ammonia, ammonium hydroxide, calcium hydroxide, potassium hydroxide, sodium hydroxide), dithiocarbamates (e.g. ferbam, maneb, metham, thiram), metals (alkali and alkaline, e.g. cesium, potassium, sodium), nitrides (e.g. potassium nitride, sodium nitride), nitro compounds (organic, e.g. nitrobenzene, nitroglycerine, picric acid, trinitrotoluene), hydrocarbons (aliphatic, unsaturated, e.g. cyclopentene, ethylene, heptene), peroxides and hydroperoxides (organic, e.g. acetyl peroxide, benzoyl peroxide, butyl peroxide, methyl ethyl ketone peroxide), sulfides (inorganic, e.g. ferric sulfide, lead sulfide, sodium sulfide), epoxides (e.g. butyl glycidyl ether), oxidizing agents (strong, e.g. bromine, hydrogen peroxide, nitrogen dioxide, potassium nitrate), reducing agents (strong, e.g. aluminum carbide, chlorosilane, hydrogen phosphide, lithium hydride), water reactive substances (e.g. acetic anyhdride, alkyl aluminum chloride, calcium carbide, ethyl dichlorosilane). Hazardous Decomposition Products: Carbon monoxide, oxides of nitrogen, carbon dioxide. Hazardous Polymerization: May occur. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 28648-78-4 unlisted. LD50/LC50: Not available. Carcinogenicity: 2-(4-Pyrimidyl)malondialdehyde - 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 Shipping Name: CORROSIVE SOLID, N.O.S.* Hazard Class: 8 UN Number: 1759 Packing Group: III IMO Shipping Name: CORROSIVE SOLID, N.O.S. Hazard Class: 8 UN Number: 1759 Packing Group: III RID/ADR Shipping Name: CORROSIVE SOLID, N.O.S. Hazard Class: 8 UN Number: 1759 Packing group: III Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: C Risk Phrases: R 34 Causes burns. Safety Phrases: S 25 Avoid contact with eyes. S 36/37/39 Wear suitable protective clothing, gloves and eye/face protection. S 45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). WGK (Water Danger/Protection) CAS# 28648-78-4: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 28648-78-4 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 28648-78-4 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: 该物质对环境可能有危害，对水体应给予特别注意。

安全

• 危害码 (欧洲): C: Corrosive;Xi: Irritant;
• 风险声明 (欧洲): R34
• 安全声明 (欧洲): 45-36/37/39-25
• 海关编码: 2933599090

海关

海关编码	2933599090
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%