69340-97-2

• 常用中文名：4,6-二羟基-5-氨基嘧啶
• 常用英文名：5-amino-4,6-dihydroxypyrimidine
• CAS号：69340-97-2
• 分子式：C₄H₅N₃O₂
• 分子量：127.10100
• 相关类别： 医药中间体 杂环化合物 嘧啶类化合物 氨基嘧啶
• 发布时间：2018-03-23 08:00:00
• 更新时间：2024-01-02 14:52:41

名称

• 中文名: 5-氨基-4,6-二羟基嘧啶
• 英文名: 5-amino-4-hydroxy-1H-pyrimidin-6-one
• 中文别名: 4,6-二羟基-5-氨基嘧啶; 4，6-二羟基-5-氨基嘧啶
• 英文别名: MFCD00239457; 5-Amino-4,6-dihydroxypyrimidine; 5-aminopyrimidine-4,6-diol; 4,6-dihydroxy-5-aminopyrimidine; 4,6-Dihydroxy-5-amino-pyrimidin; 5-amino-4,6-dihydroxy-pyrimidine

物化性质

• 密度: 1.84 g/cm3
• 沸点: 387ºC at 760 mmHg
• 分子式: C₄H₅N₃O₂
• 分子量: 127.10100
• 闪点: 187.8ºC
• 精确质量: 127.03800
• PSA: 92.26000
• LogP: 0.05120
• 折射率: 1.752
• 储存条件: 室温，干燥
• 分子结构:

  1、 摩尔折射率：30.43

  2、 摩尔体积（m³/mol）：75.0

  3、 等张比容（90.2K）：251.4

  4、 表面张力（dyne/cm）：126.1

  5、 极化率（10^-24cm³）：12.06

• 计算化学:

  1.疏水参数计算参考值（XlogP）:-1.3

  2.氢键供体数量:3

  3.氢键受体数量:4

  4.可旋转化学键数量:0

  5.互变异构体数量:8

  6.拓扑分子极性表面积87.7

  7.重原子数量:9

  8.表面电荷:0

  9.复杂度:206

  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：。

  2. 密度（g/mL,25/4℃）：

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：

  5. 沸点（ºC,常压）：

  6. 沸点（ºC,5.2kPa）：未确定

  7. 折射率：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（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：。

MSDS

Name: 5-Amino-4 6-dihydroxypyrimidine Material Safety Data Sheet Synonym: CAS: 69340-97-2 Section 1 - Chemical Product MSDS Name:5-Amino-4 6-dihydroxypyrimidine Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 69340-97-2 5-Amino-4,6-dihydroxypyrimidine unlisted Hazard Symbols: None Listed. Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Not available. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: May cause respiratory tract irritation. May be harmful if inhaled. 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. 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. 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: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable 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: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 69340-97-2: 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: Not available. Color: Not available. Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: Not available. 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: C4H5N3O2 Molecular Weight: 127.10 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Not available. Incompatibilities with Other Materials: Not available. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 69340-97-2 unlisted. LD50/LC50: Not available. Carcinogenicity: 5-Amino-4,6-dihydroxypyrimidine - 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: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 69340-97-2: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 69340-97-2 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 69340-97-2 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 风险声明 (欧洲): 36/37/38
• 安全声明 (欧洲): 26-36/37/39
• 海关编码: 2933599090

上下游产品

上游产品  0
下游产品  1
5413-85-4

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%