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| 中文名 | 4-氨基-2-巯基嘧啶-5-羧酸乙酯 |
|---|---|
| 英文名 | Ethyl 4-Amino-2-Mercaptopyrimidine-5-Carboxylate |
| 中文别名 |
4-氨基-2-巯基嘧啶-5-甲基乙酯
2-巯基-4-氨基-5-乙氧甲酰基嘧啶 乙基 4-氨基-2-巯基嘧啶-5-甲酸酯 |
| 英文别名 |
5-Pyrimidinecarboxylic acid, 4-amino-1,2-dihydro-2-thioxo-, ethyl ester
MFCD00023227 5-pyrimidinecarboxylic acid, 6-amino-1,2-dihydro-2-thioxo-, ethyl ester ethyl 4-amino-2-sulfanylpyrimidine-5-carboxylate 5-Pyrimidinecarboxylic acid, 4-amino-2-mercapto-, ethyl ester ethyl 6-amino-2-sulfanylidene-1H-pyrimidine-5-carboxylate ethyl 4-amino-2-thioxo-1,2-dihydropyrimidine-5-carboxylate Ethyl 4-amino-2-thioxo-1,2-dihydro-5-pyrimidinecarboxylate ethyl 6-amino-2-thioxo-1,2-dihydropyrimidine-5-carboxylate |
| 密度 | 1.4±0.1 g/cm3 |
|---|---|
| 沸点 | 386.0±45.0 °C at 760 mmHg |
| 熔点 | 261-263°C |
| 分子式 | C7H9N3O2S |
| 分子量 | 199.230 |
| 闪点 | 187.2±28.7 °C |
| 精确质量 | 199.041550 |
| PSA | 116.90000 |
| LogP | -0.76 |
| 外观性状 | 白色固体 |
| 蒸汽压 | 0.0±0.9 mmHg at 25°C |
| 折射率 | 1.624 |
| 储存条件 | 保持容器密封，储存在阴凉，干燥的地方 |
| 稳定性 | 常温常压下稳定，避免氧化物接触 |
| 分子结构 | 1、 摩尔折射率：51.25 2、 摩尔体积（m3/mol）：145.1 3、 等张比容（90.2K）：414.5 4、 表面张力（dyne/cm）：66.4 5、 介电常数： 6、 偶极距（10 -24cm 3）： 7、 极化率：20.31 |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:0.4 2.氢键供体数量:2 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:12 6.拓扑分子极性表面积109 7.重原子数量:13 8.表面电荷:0 9.复杂度:309 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）：261-263°C 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（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：未确定 |
Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: Causes 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. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. 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: 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# 774-07-2: 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: Solid Color: off-white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 261 - 263 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: C7H9N3O2S Molecular Weight: 199.23 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Oxidizing agents, bases, acid chlorides. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 774-07-2: UV7720000 LD50/LC50: Not available. Carcinogenicity: Ethyl 4-amino-2-mercaptopyrimidine-5-carboxylate - 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 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: XI Risk Phrases: 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# 774-07-2: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 774-07-2 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 774-07-2 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: 急性毒性：小鼠静脉LD50：320mg/kg 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
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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| 危害码 (欧洲) | Xi:Irritant; |
|---|---|
| 风险声明 (欧洲) | R36/37/38 |
| 安全声明 (欧洲) | S26-S36 |
| RTECS号 | UV7720000 |
| 海关编码 | 2933599090 |
|
~74%
774-07-2 |
| 文献：Scherbinina; Dar'In; Lobanov Chemistry of Heterocyclic Compounds, 2010 , vol. 46, # 9 p. 1109 - 1115 |
|
~%
774-07-2 |
| 文献：Journal of the American Chemical Society, , vol. 78, p. 5294,5296 Journal of Organic Chemistry, , vol. 21, p. 567,571 Journal of the American Chemical Society, , vol. 67, p. 2197,2200 Org.Synth.Coll.Vol.IV <1963>566 |
| 上游产品 2 | |
|---|---|
| 下游产品 10 | |
| 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% |
![{[4-氨基-5-(乙氧基羰基)嘧啶-2-基]硫基}乙酸结构式](https://www.chemsrc.com/caspic/001/115102-54-0.png)