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| 中文名 | 4-硝基丁酸甲酯 |
|---|---|
| 英文名 | methyl 4-nitrobutanoate |
| 中文别名 | 甲基-4-硝基丁酸 |
| 英文别名 |
4-nitrobutanoic acid methyl ester
4-Nitrobutyric Acid Methyl Ester MFCD00007408 EINECS 235-866-0 Methyl 4-nitrobutyrate BUTYRIC ACID,4-NITRO-,METHYL ESTER Butanoic acid,4-nitro-,methyl ester methyl 4-nitro-1-butanoate |
| 密度 | 1.155g/cm3 |
|---|---|
| 沸点 | 238.5ºC at 760mmHg |
| 分子式 | C5H9NO4 |
| 分子量 | 147.12900 |
| 闪点 | 107.3ºC |
| 精确质量 | 147.05300 |
| PSA | 72.12000 |
| LogP | 0.73950 |
| 外观性状 | 透明黄色至琥珀色液体 |
| 蒸汽压 | 0.0422mmHg at 25°C |
| 折射率 | n20/D 1.438(lit.) |
| 储存条件 | 密闭于阴凉干燥环境中 |
| 稳定性 | 遵照规定使用和储存则不会分解。 |
| 分子结构 | 1、 摩尔折射率：33.01 2、 摩尔体积（m3/mol）：127.3 3、 等张比容（90.2K）：314.3 4、 表面张力（3.0 dyne/cm）：37.1 5、 极化率（0.5 10 -24cm 3）：13.08 |
| 计算化学 | 1、 疏水参数计算参考值（XlogP）：0.6 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：4 5、 拓扑分子极性表面积（TPSA）：69.4 6、 重原子数量：10 7、 表面电荷：0 8、 复杂度：128 9、 同位素原子数量：0 10、 确定原子立构中心数量：0 11、 不确定原子立构中心数量：0 12、 确定化学键立构中心数量：0 13、 不确定化学键立构中心数量：0 14、 共价键单元数量：1 |
| 更多 | 1. 性状：无可用 2. 密度（g/mL,25/4℃）：1.149 3. 相对蒸汽密度（g/mL,空气=1）：无可用 4. 熔点（ºC）：无可用 5. 沸点（ºC,常压）：106-110 6. 沸点（ºC,5.2kPa）：无可用 7. 折射率：1.438 8. 闪点（ºC）：无可用 9. 比旋光度（º）：无可用 10. 自燃点或引燃温度（ºC）：无可用 11. 蒸气压（kPa,25ºC）：无可用 12. 饱和蒸气压（kPa,60ºC）：无可用 13. 燃烧热（KJ/mol）：无可用 14. 临界温度（ºC）：无可用 15. 临界压力（KPa）：无可用 16. 油水（辛醇/水）分配系数的对数值：无可用 17. 爆炸上限（%,V/V）：无可用 18. 爆炸下限（%,V/V）：无可用 19. 溶解性：无可用 |
Synonym:4-Nitrobutyric Acid Methyl Ester Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: May cause eye irritation. May cause chemical conjunctivitis and corneal damage. Skin: May cause skin irritation. May cause cyanosis of the extremities. Ingestion: May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated. Inhalation: May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Aspiration may lead to pulmonary edema. Inhalation at high concentrations may cause CNS depression and asphixiation. Chronic: Effects may be delayed. 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. 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. 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. Do NOT use mouth-to-mouth resuscitation. Notes to Physician: 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. Use water spray to keep fire-exposed containers cool. Combustible liquid. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated. Runoff from fire control or dilution water may cause pollution. Extinguishing Media: In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam. Use water spray to cool fire-exposed containers. 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. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Use a spark-proof tool. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use only in a well-ventilated area. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Keep away from heat, sparks and flame. Avoid ingestion and inhalation. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames. Storage: Keep away from sources of ignition. Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. 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# 13013-02-0: 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 minimize contact with skin. 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: Liquid Color: clear amber Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 106 - 110 deg C @ 9.00mmHg Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: 85 deg C ( 185.00 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: 1.1490g/cm3 Molecular Formula: C5H9NO4 Molecular Weight: 147.13 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, ignition sources, excess heat, strong oxidants. Incompatibilities with Other Materials: Strong bases, oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 13013-02-0: ET5950970 LD50/LC50: Not available. Carcinogenicity: Methyl 4-Nitrobutyrate, Tech. - 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 Shipping Name: Not regulated. Hazard Class: UN Number: Packing Group: IMO Shipping Name: Not regulated. Hazard Class: UN Number: Packing Group: RID/ADR Shipping Name: Not regulated. Hazard Class: UN Number: Packing group: 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# 13013-02-0: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 13013-02-0 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 13013-02-0 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: 该物质对环境可能有危害，对水体应给予特别注意。
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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| 个人防护装备 | Eyeshields;Gloves;half-mask respirator (US);multi-purpose combination respirator cartridge (US) |
|---|---|
| 安全声明 (欧洲) | 23-24/25 |
| WGK德国 | 3 |
| RTECS号 | ET5950970 |
| 海关编码 | 2915900090 |
|
~70%
13013-02-0 |
| 文献：Molecules, , vol. 14, # 4 p. 1595 - 1604 |
|
~96%
13013-02-0 |
| 文献：Simoni, Daniele; Rondanin, Riccardo; Morini, Massimo; Baruchello, Riccardo; Invidiata, Francesco Paolo Tetrahedron Letters, 2000 , vol. 41, # 10 p. 1607 - 1610 |
|
~29%
13013-02-0 |
| 文献：Dawadi, Prativa B. S.; Schulten, Els A. M.; Lugtenburg, Johan Journal of Labelled Compounds and Radiopharmaceuticals, 2009 , vol. 52, # 9 p. 341 - 349 |
|
~%
13013-02-0
详细
|
| 文献：Synthesis, , # 10 p. 841 - 842 |
| 上游产品 3 | |
|---|---|
| 下游产品 10 | |
| 海关编码 | 2915900090 |
|---|---|
| 中文概述 | 2915900090. 其他饱和无环一元羧酸及其酸酐（酰卤、过氧）化物、过氧酸及其卤化、硝化、磺化、亚硝化衍生物. 增值税率:17.0%. 退税率:9.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 最惠国关税:5.5%. 普通关税:30.0% |
| 申报要素 | 品名, 成分含量, 用途 |
| 监管条件 | A.入境货物通关单 B.出境货物通关单 |
| 检验检疫 | R.进口食品卫生监督检验 S.出口食品卫生监督检验 M.进口商品检验 N.出口商品检验 |
| Summary | 2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0% |
