3989-36-4
3989-36-4结构式
- 常用中文名：1,2,3-噻重氮-4-羧酸乙酯
- 常用英文名：ETHYL 1,2,3-THIADIAZOLE-4-CARBOXYLATE
- CAS号：3989-36-4
- 分子式：C5H6N2O2S
- 分子量：158.17800
- 发布时间：2019-01-01 10:31:57
- 更新时间：2024-01-11 10:07:40
| 中文名 | 1,2,3-噻重氮-4-羧酸乙酯 |
|---|---|
| 英文名 | Ethyl 1,2,3-thiadiazole-4-carboxylate |
| 中文别名 | 1,2,3-噻二唑-4-羧酸乙酯 |
| 英文别名 |
ethyl thiadiazole-4-carboxylate
MFCD00052100 |
| 密度 | 1.32g/cm3 |
|---|---|
| 沸点 | 231.1ºC at 760mmHg |
| 熔点 | 80 °C |
| 分子式 | C5H6N2O2S |
| 分子量 | 158.17800 |
| 闪点 | 93.6ºC |
| 精确质量 | 158.01500 |
| PSA | 80.32000 |
| LogP | 0.71480 |
| 折射率 | 1.533 |
| 储存条件 | 密闭、阴凉、干燥处 |
| 稳定性 | 按规定使用不会分解，避氧化剂 |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:1 2.氢键供体数量:0 3.氢键受体数量:5 4.可旋转化学键数量:3 5.互变异构体数量:无 6.拓扑分子极性表面积80.3 7.重原子数量:10 8.表面电荷:0 9.复杂度:131 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：块状 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）：83-84 5. 沸点（ºC,常压）：未确定 6. 沸点（ºC,0.11mmHg）：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（20ºC）：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: 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: 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: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 3989-36-4: 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: cream Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 83 - 84 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: C5H6N2O2S Molecular Weight: 158 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 3989-36-4 unlisted. LD50/LC50: Not available. Carcinogenicity: Ethyl 1,2,3-thiadiazole-4-carboxylate - 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# 3989-36-4: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 3989-36-4 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 3989-36-4 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: 该物质对环境稍微有危害，若无政府许可，勿将材料排入周围环境
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| 安全声明 (欧洲) | S24/25 |
|---|---|
| 危险品运输编码 | UN3283 |
| 包装等级 | III |
| 危险类别 | 6.1 |
| 海关编码 | 2934999090 |
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3989-36-4 |
| 文献：Pharmacia and Upjohn Company Patent: US5977373 A1, 1999 ; |
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3989-36-4 |
| 文献：Looker,J.H.; Wilson,L.W. Journal of Heterocyclic Chemistry, 1965 , vol. 2, p. 348 - 354 |
| 上游产品 4 | |
|---|---|
| 下游产品 2 | |
| 海关编码 | 2934999090 |
|---|---|
| 中文概述 | 2934999090. 其他杂环化合物. 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 |
| Summary | 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |