75428-45-4
75428-45-4结构式
- 常用中文名：5-硝基噻酚-3-甲醛
- 常用英文名：2-NITROTHIOPHENE-4-CARBOXALDEHYDE
- CAS号：75428-45-4
- 分子式：C5H3NO3S
- 分子量：157.14700
- 相关类别： 医药中间体 杂环化合物 噻吩类化合物
- 发布时间：2018-07-15 21:11:56
- 更新时间：2024-01-29 12:06:53
| 中文名 | 2-硝基噻吩-4-甲醛 |
|---|---|
| 英文名 | 5-nitrothiophene-3-carbaldehyde |
| 中文别名 |
2-硝基噻吩-4-羰醛
5-硝基噻酚-3-甲醛 |
| 英文别名 |
5-nitrothiophene-3-carboxaldehyde
4-Formyl-2-nitrothiophene 2-nitrothiophene-4-carboxyaldehyde 5-nitro-thiophene-3-carbaldehyde MFCD00052581 3-Formyl-5-nitrothiophene 2-Nitrothiophene-4-carboxaldehyde 5-nitro-3-thiophene-carboxaldehyde |
| 密度 | 1.534 g/cm3 |
|---|---|
| 沸点 | 283.3ºC at 760 mmHg |
| 熔点 | 79ºC |
| 分子式 | C5H3NO3S |
| 分子量 | 157.14700 |
| 闪点 | 125.2ºC |
| 精确质量 | 156.98300 |
| PSA | 91.13000 |
| LogP | 1.99200 |
| 折射率 | 1.662 |
| 储存条件 | 存放在密封容器内，并放在阴凉，干燥处。储存的地方必须远离氧化剂。 |
| 稳定性 | 远离氧化物。 |
| 分子结构 | 1、 摩尔折射率：37.93 2、 摩尔体积（m3/mol）：102.4 3、 等张比容（90.2K）：290.9 4、 表面张力（dyne/cm）：65.1 5、 极化率（10 -24cm 3）：15.03 |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:1.2 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:1 5.互变异构体数量:无 6.拓扑分子极性表面积91.1 7.重原子数量:10 8.表面电荷:0 9.复杂度:156 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：棕色粉末。 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）：79-81 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：不能溶于水。 |
Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Air sensitive. 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. Store under nitrogen. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 75428-45-4: 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: yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 79 - 81 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: C5H3NO3S Molecular Weight: 157 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials, exposure to air. Incompatibilities with Other Materials: Strong 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# 75428-45-4 unlisted. LD50/LC50: Not available. Carcinogenicity: 5-Nitrothiophene-3-carbaldehyde - 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# 75428-45-4: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 75428-45-4 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 75428-45-4 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: 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。
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| 风险声明 (欧洲) | R36/37/38 |
|---|---|
| 安全声明 (欧洲) | S22-S24/25 |
| 海关编码 | 2934999090 |
| 上游产品 1 | |
|---|---|
| 下游产品 0 | |
| 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% |