1956-06-5

• 常用中文名：丙酸对硝基苯
• 常用英文名：P-NITROPHENYL PROPIONATE
• CAS号：1956-06-5
• 分子式：C₉H₉NO₄
• 分子量：195.17200
• 发布时间：2018-08-27 17:53:52
• 更新时间：2024-01-09 10:25:02

名称

• 中文名: 丙酸对硝基苯
• 英文名: (4-nitrophenyl) propanoate
• 中文别名: P-硝基苯基丙酸酯; 对硝基丙酸苯酯
• 英文别名: p-Nitrophenyl propionate; 4-nitrophenyl propanoate; 4-nitrophenyl propyonate; propionic acid 4-nitrophenyl ester; PNP-PROPIONATE; p-Nitrophenyl propanoate; 4-Nitrophenyl propionate

物化性质

• 熔点: 62-64 ℃
• 分子式: C₉H₉NO₄
• 分子量: 195.17200
• 精确质量: 195.05300
• PSA: 72.12000
• LogP: 2.43340
• 蒸汽压: 0.000629mmHg at 25°C
• 储存条件:

  密封、在 -20ºC下保存

• 稳定性:

  如果遵照规格使用和储存则不会分解，未有已知危险反应，避免氧化物

• 分子结构:

  1、摩尔折射率：48.77

  2、摩尔体积（cm³/mol）：155.4

  3、等张比容（90.2K）：404

  4、表面张力（dyne/cm）：45.6

  5、介电常数：无可用的

  6、极化率（10^-24cm³）：19.33

  7、单一同位素质量：195.053158Da

  8、标称质量：195Da

  9、平均质量：195.1721Da

• 计算化学:

  1、 疏水参数计算参考值（XlogP）：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：3

  5、 互变异构体数量：

  6、 拓扑分子极性表面积（TPSA）：69.4

  7、 重原子数量：14

  8、 表面电荷：0

  9、 复杂度：215

  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,20ºC）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：62-64

  5. 沸点（ºC）：未确定

  6. 沸点（ºC，20mmHg）：未确定

  7. 折射率：未确定

  8. 闪点（°F）：未确定

  9. 比旋光度（ºF）：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,110ºC）：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

MSDS

Section 1. Chemical Product and Company Identification 4-Nitrophenyl Propionate Common Name/ Trade Name Manufacturer Commercial Name(s) Synonym Chemical Name Chemical Family 4-Nitrophenyl Propionate Section 4. First Aid Measures Eye ContactCheck for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical attention if irritation occurs. Skin ContactWash with soap and water. Cover the irritated skin with an emollient. Get medical attention if irritation develops. Serious Skin ContactNot available. InhalationIf inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical attention. Serious InhalationNot available. IngestionDo NOT induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. If large quantities of this material are swallowed, call a physician immediately. Loosen tight clothing such as a collar, tie, belt or waistband. Serious IngestionNot available. Section 5. Fire and Explosion Data Flammability of the Product May be combustible at high temperature. Auto-Ignition Temperature Not available. Flash PointsNot available. Flammable LimitsNot available. Products of CombustionThese products are carbon oxides (CO, CO2), nitrogen oxides (NO, NO2...). Fire Hazards in Presence of Slightly flammable to flammable in presence of heat. Various SubstancesNon-flammable in presence of shocks. Explosion Hazards in Presence Risks of explosion of the product in presence of mechanical impact: Not available. Risks of explosion of the product in presence of static discharge: Not available. of Various Substances SMALL FIRE: Use DRY chemical powder. Fire Fighting Media and InstructionsLARGE FIRE: Use water spray, fog or foam. Do not use water jet. As with most organic solids, fire is possible at elevated temperatures Special Remarks on Fire Hazards Special Remarks on Explosion Not available. Hazards Section 6. Accidental Release Measures Small SpillUse appropriate tools to put the spilled solid in a convenient waste disposal container. Finish cleaning by spreading water on the contaminated surface and dispose of according to local and regional authority requirements. Large SpillUse a shovel to put the material into a convenient waste disposal container. Finish cleaning by spreading water on the contaminated surface and allow to evacuate through the sanitary system. 4-Nitrophenyl Propionate Section 7. Handling and Storage PrecautionsKeep away from heat. Keep away from sources of ignition. Ground all equipment containing material. Do not breathe dust. Keep away from incompatibles such as oxidizing agents. StorageKeep container tightly closed. Keep container in a cool, well-ventilated area. Do not store above 0°C (32°F). Freeze. Section 8. Exposure Controls/Personal Protection Engineering ControlsUse process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below recommended exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to airborne contaminants below the exposure limit. Personal Protection Safety glasses. Lab coat. Dust respirator. Be sure to use an approved/certified respirator or equivalent. Gloves. Personal Protection in Case of Splash goggles. Full suit. Dust respirator. Boots. Gloves. A self contained breathing apparatus should be used a Large Spillto avoid inhalation of the product. Suggested protective clothing might not be sufficient; consult a specialist BEFORE handling this product. Exposure LimitsNot available. Section 9. Physical and Chemical Properties Physical state and appearance Solid.OdorNot available. TasteNot available. Molecular Weight195.17 g/mole ColorNot available. pH (1% soln/water)Not available. Boiling PointNot available. Melting PointNot available. Critical TemperatureNot available. Not available. Specific Gravity Vapor PressureNot applicable. Vapor DensityNot available. VolatilityNot available. Odor ThresholdNot available. Not available. Water/Oil Dist. Coeff. Ionicity (in Water)Not available. Not available. Dispersion Properties SolubilityNot available. Section 10. Stability and Reactivity Data StabilityThe product is stable. Not available. Instability Temperature Conditions of InstabilityExcess heat, incompatible materials, exposure to air or moisture over prolonged periods Incompatibility with variousReactive with oxidizing agents. substances CorrosivityNot available. 4-Nitrophenyl Propionate Special Remarks onNot available. Reactivity Special Remarks onNot available. Corrosivity PolymerizationWill not occur. Section 11. Toxicological Information Routes of EntryInhalation. Ingestion. Toxicity to AnimalsLD50: Not available. LC50: Not available. Chronic Effects on Humans Not available. Other Toxic Effects onSlightly hazardous in case of skin contact (irritant), of ingestion, of inhalation. Humans Special Remarks onNot available. Toxicity to Animals Special Remarks on Not available. Chronic Effects on Humans Special Remarks on otherAcute Potential Health Effects: Toxic Effects on HumansSkin: May cause skin irritation. Eyes: May cause eye irritation. Inhalation: May cause respiratory tract irritation. Ingestion: May be harmful if swallowed. May cause nausea, vomiting, headache, dizziness tiredness. Chronic Potential Health Effects: Skin: Prolonged or repeated skin contact may cause dermatitis, an allergic skin reaction. Inhalation and Ingestion: Prolonged or repeated overexposure may cause nausea, vomiting. Higher exposure may also cause unconciousness. Section 12. Ecological Information EcotoxicityNot available. Not available. BOD5 and COD Possibly hazardous short term degradation products are not likely. However, long term degradation products may Products of Biodegradation arise. Toxicity of the ProductsThe product itself and its products of degradation are not toxic. of Biodegradation Not available. Special Remarks on the Products of Biodegradation Section 13. Disposal Considerations Waste DisposalWaste must be disposed of in accordance with federal, state and local environmental control regulations. 4-Nitrophenyl Propionate Section 14. Transport Information DOT ClassificationNot a DOT controlled material (United States). IdentificationNot applicable. Not applicable. Special Provisions for Transport DOT (Pictograms) Section 15. Other Regulatory Information and Pictograms No products were found. Federal and State Regulations CaliforniaCalifornia prop. 65: This product contains the following ingredients for which the State of California has found to cause cancer which would require a warning under the statute: No products were found. Proposition 65 Warnings California prop. 65: This product contains the following ingredients for which the State of California has found to cause birth defects which would require a warning under the statute: No products were found. Other RegulationsEINECS: This product is on the European Inventory of Existing Commercial Chemical Substances. Other ClassificationsWHMIS (Canada) Not controlled under WHMIS (Canada). DSCL (EEC)This product is not classified according Not applicable. to the EU regulations. Health Hazard HMIS (U.S.A.)1 National Fire Protection 1 Flammability 1 Association (U.S.A.) Fire Hazard 1 0 Reactivity Health Reactivity 0 Specific hazard Personal Protection E WHMIS (Canada) (Pictograms) DSCL (Europe) (Pictograms) TDG (Canada) (Pictograms) ADR (Europe) (Pictograms) 4-Nitrophenyl Propionate Protective Equipment Gloves. Lab coat. Dust respirator. Be sure to use an approved/certified respirator or equivalent. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 对水是稍微有危害的不要让未稀释或大量的产品接触地下水、水道或者污水系统，若无政府许可，勿将材料排入周围环境。

合成路线

100-02-7 123-62-6 ~96% 1956-06-5

文献：Dalpozzo, Renato; De Nino, Antonio; Maiuolo, Loredana; Oliverio, Manuela; Procopio, Antonio; Russo, Beatrice; Tocci, Amedeo Australian Journal of Chemistry, 2007 , vol. 60, # 1 p. 75 - 79

100-02-7 107-18-6 ~68% 1956-06-5

文献：Luo, Fang; Pan, Changduo; Cheng, Jiang; Chen, Fan Tetrahedron, 2011 , vol. 67, # 33 p. 5878 - 5882

100-02-7 79-03-8 ~90% 1956-06-5

文献：Ghosh, Usha; Ganessunker, Deshanie; Sattigeri, Viswajanani J.; Carlson, Kathryn E.; Mortensen, Deborah J.; Katzenellenbogen, Benita S.; Katzenellenbogen, John A. Bioorganic and Medicinal Chemistry, 2003 , vol. 11, # 4 p. 629 - 657

100-02-7 802294-64-0 ~85% 1956-06-5

文献：Ke, Damei; Zhan, Chuanlang; Li, Xiao; Li, Alexander D.Q.; Yao, Jiannian Tetrahedron, 2009 , vol. 65, # 39 p. 8269 - 8276

637-27-4 ~% 19686-49-8 1956-06-5

文献：Suzuki, Hitomi; Tatsumi, Atsuo; Ishibashi, Taro; Mori, Tadashi Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1995 , # 4 p. 339 - 344

637-27-4 ~% 19686-49-8 69844-29-7 1956-06-5

文献：Suzuki, Hitomi; Tatsumi, Atsuo; Ishibashi, Taro; Mori, Tadashi Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1995 , # 4 p. 339 - 344

108-95-2 ~% 1956-06-5

文献：Suzuki, Hitomi; Tatsumi, Atsuo; Ishibashi, Taro; Mori, Tadashi Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1995 , # 4 p. 339 - 344

777-84-4 ~% 1956-06-5

文献：Furukawa, Naomichi; Iida, Keiko; Kawai, Tsutomu; Ogawa, Satoshi; Oae, Shigeru Phosphorus and Sulfur and the Related Elements, 1984 , vol. 19, p. 239 - 254

上下游产品

上游产品  7
100-02-7 123-62-6 107-18-6 79-03-8
637-27-4 108-95-2 777-84-4
下游产品  9
100-02-7 1118-32-7 1113-75-3 14609-74-6
10601-63-5 137-40-6 824-78-2 554-12-1
2955-67-1