| 中文名 | 2,5-二氯吡咯-3-羧酸甲酯 |
|---|---|
| 英文名 | methyl 2,5-dimethyl-1H-pyrrole-3-carboxylate |
| 中文别名 |
2,5-二甲基-1H-吡咯-3-羧酸甲酯
2,5-二甲基-吡咯-3-羧酸甲酯 |
| 英文别名 |
1H-Pyrrole-3-carboxylic acid, 2,5-dimethyl-, methyl ester
Methyl 2,5-dimethyl-1H-pyrrole-3-carboxylate 2,5-Dimethyl-pyrrol-3-carbonsaeure-methylester METHYL 2,5-DIMETHYLPYRROLE-3-CARBOXYLATE 2,5-Dimethyl-3-methoxycarbonyl-pyrrol 2,5-dimethyl-pyrrole-3-carboxylic acid methyl ester MFCD00203859 |
| 密度 | 1.1±0.1 g/cm3 |
|---|---|
| 沸点 | 294.3±35.0 °C at 760 mmHg |
| 熔点 | 115 °C |
| 分子式 | C8H11NO2 |
| 分子量 | 153.178 |
| 闪点 | 131.8±25.9 °C |
| 精确质量 | 153.078979 |
| PSA | 42.09000 |
| LogP | 2.07 |
| 蒸汽压 | 0.0±0.6 mmHg at 25°C |
| 折射率 | 1.521 |
| 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：42.10 2、 摩尔体积（m3/mol）：138.1 3、 等张比容（90.2K）：347.0 4、 表面张力（dyne/cm）：39.7 5、 极化率（10 -24cm 3）：16.69 |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:1.4 2.氢键供体数量:1 3.氢键受体数量:2 4.可旋转化学键数量:2 5.互变异构体数量:3 6.拓扑分子极性表面积42.1 7.重原子数量:11 8.表面电荷:0 9.复杂度:158 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：微白色粉末。 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）：118-122 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: None Known. SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Hazard Symbols: XI SECTION 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. May cause chemical conjunctivitis. 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: No information found. SECTION 4 - FIRST AID MEASURES Eyes: Immediately 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. Wash clothing before reuse. Ingestion: Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. 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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions. Provide ventilation. SECTION 7 - HANDLING and STORAGE Handling: Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse. 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# 69687-80-5: 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 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: 115 - 118 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: C8H11NO2 Molecular Weight: 153 SECTION 10 - STABILITY AND REACTIVITY Chemical Stability: Stable at room temperature in closed containers under normal storage and handling conditions. Conditions to Avoid: Incompatible materials, dust generation, excess heat. Incompatibilities with Other Materials: Bases, halogenated agents, halogens, strong oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 69687-80-5 unlisted. LD50/LC50: Not available. Carcinogenicity: Methyl 2,5-dimethyl-1H-pyrrole-3-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 Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material. 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# 69687-80-5: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 69687-80-5 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 69687-80-5 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION MSDS Creation Date: 6/10/2003 Revision #1 Date: 1/19/2005 The information above is believed to be accurate and represents the best information currently available to us. However, we make no warranty of merchantability or any other warranty, express or implied, with respect to such information, and we assume no liability resulting from its use. Users should make their own investigations to determine the suitability of the information for their particular purposes. In no way shall the company be liable for any claims, losses, or damages of any third party or for lost profits or any special, indirect, incidental, consequential or exemplary damages, howsoever arising, even if the company has been advised of the possibility of such damages. SECTION 16 - ADDITIONAL INFORMATION N/A |
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生态学数据: 对水稍微有危害的，不要让未稀释或者大量产品接触地下水，水道或者污水系统。若无政府许可，勿将材料排入周围环境。
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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-S37 |
| 海关编码 | 2933990090 |
|
~20%
69687-80-5 |
| 文献：Kuwano, Ryoichi; Kashiwabara, Manabu; Ohsumi, Masato; Kusano, Hiroki Journal of the American Chemical Society, 2008 , vol. 130, # 3 p. 808 - 809 |
|
~%
69687-80-5 |
| 文献：Journal of Organic Chemistry, , vol. 76, # 9 p. 3203 - 3221 |
|
~%
69687-80-5 |
| 文献：Hoppe-Seyler's Zeitschrift fuer Physiologische Chemie, , vol. 246, p. 31,38 |
|
~%
69687-80-5 |
| 文献：Hoppe-Seyler's Zeitschrift fuer Physiologische Chemie, , vol. 246, p. 31,38 |
| 上游产品 5 | |
|---|---|
| 下游产品 2 | |
| 海关编码 | 2933990090 |
|---|---|
| 中文概述 | 2933990090. 其他仅含氮杂原子的杂环化合物. 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, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期 |
| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
