5323-50-2

• 常用中文名：N-丙基酞酰亚胺
• 常用英文名：1H-Isoindole-1,3(2H)-dione,2-propyl-
• CAS号：5323-50-2
• 分子式：C₁₁H₁₁NO₂
• 分子量：189.21100
• 发布时间：2018-06-21 16:44:26
• 更新时间：2024-01-06 10:47:45

名称

• 中文名: N-丙基酞酰亚胺
• 英文名: 2-propylisoindole-1,3-dione
• 中文别名: N-丙基邻苯二甲酰亚胺
• 英文别名: 1-(N-Phthalimidyl)propane; N-Propyl-phthalimid; EINECS 226-189-1; 2-propylisoindoline-1,3-dione; N-propylphthalimide; 1H-Isoindole-1,3(2H)-dione,2-propyl; N-(n-Propyl)phthalimide; Phthalimide,N-propyl; phthalimido propane

物化性质

• 密度: 1.207g/cm3
• 沸点: 294.8ºC at 760mmHg
• 分子式: C₁₁H₁₁NO₂
• 分子量: 189.21100
• 闪点: 126.3ºC
• 精确质量: 189.07900
• PSA: 37.38000
• LogP: 1.63050
• 折射率: 1.572
• 储存条件:

  避光，阴凉干燥处，密封保存

• 稳定性:

  常温常压下稳定

• 分子结构:

  分子性质数据：

  1、 摩尔折射率：51.60

  2、 摩尔体积（m³/mol）：156.6

  3、 等张比容（90.2K）：409.3

  4、 表面张力（dyne/cm）：46.6

  5、 极化率（10 ^-24cm ³）：20.45

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:0

  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:无

  6.拓扑分子极性表面积37.4

  7.重原子数量:14

  8.表面电荷:0

  9.复杂度:238

  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,25/4℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：未确定

  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（ºF）：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：未确定

MSDS

Version 1.2 Regulation (EC) No 1907/2006 1 - Product and Company Information Product NameN-PROPYLPHTHALIMIDE, 98% 2 - Hazards Identification SPECIAL INDICATION OF HAZARDS TO HUMANS AND THE ENVIRONMENT Irritating to eyes, respiratory system and skin. 3 - Composition/Information on Ingredients Product NameCAS #EC noAnnex I Index Number N-PROPYLPHTHALIMIDE, 98%5323-50-2 226-189-1 None FormulaC11H11NO2 Molecular Weight 189,2100 AMU Synonyms1H-Isoindole-1,3(2H)-dione, 2-propyl- * 1-(N-Phthalimidyl)propane * N-Propylphthalimide * N-(n-Propyl)phthalimide 4 - First Aid Measures AFTER INHALATION If inhaled, remove to fresh air. If not breathing give artificial respiration. If breathing is difficult, give oxygen. AFTER SKIN CONTACT In case of contact, immediately wash skin with soap and copious amounts of water. AFTER EYE CONTACT In case of contact, immediately flush eyes with copious amounts of water for at least 15 minutes. AFTER INGESTION If swallowed, wash out mouth with water provided person is conscious. Call a physician. 5 - Fire Fighting Measures ALDRICHwww.molbase.com EXTINGUISHING MEDIA Suitable: Water spray. Carbon dioxide, dry chemical powder, or appropriate foam. SPECIAL RISKS Specific Hazard(s): Emits toxic fumes under fire conditions. SPECIAL PROTECTIVE EQUIPMENT FOR FIREFIGHTERS Wear self-contained breathing apparatus and protective clothing to prevent contact with skin and eyes. 6 - Accidental Release Measures PROCEDURE(S) OF PERSONAL PRECAUTION(S) Wear respirator, chemical safety goggles, rubber boots, and heavy rubber gloves. METHODS FOR CLEANING UP Sweep up, place in a bag and hold for waste disposal. Avoid raising dust. Ventilate area and wash spill site after material pickup is complete. 7 - Handling and Storage HANDLING Directions for Safe Handling: Do not breathe dust. Avoid contact with eyes, skin, and clothing. Avoid prolonged or repeated exposure. STORAGE Conditions of Storage: Keep container closed. Store in a cool dry place. 8 - Exposure Controls / Personal Protection ENGINEERING CONTROLS Safety shower and eye bath. Mechanical exhaust required. GENERAL HYGIENE MEASURES Wash thoroughly after handling. PERSONAL PROTECTIVE EQUIPMENT Special Protective Measures: Wear appropriate government approved respirator, chemical-resistant gloves, safety goggles, other protective clothing. 9 - Physical and Chemical Properties pH N/A BP/BP Range282,000. - 283,000 °756,000 mmHg C. MP/MP Range64,000. - 67,000 °C. Flash PointN/A FlammabilityN/A Autoignition TempN/A Oxidizing PropertiesN/A Explosive PropertiesN/A Explosion LimitsN/A ALDRICHwww.molbase.com Vapor PressureN/A Partition Coefficient N/A ViscosityN/A Vapor DensityN/A Saturated Vapor Conc. N/A Evaporation RateN/A Bulk DensityN/A Decomposition Temp.N/A Solvent ContentN/A Water ContentN/A Surface TensionN/A ConductivityN/A Miscellaneous DataN/A SolubilityN/A 10 - Stability and Reactivity STABILITY Materials to Avoid: Strong oxidizing agents. HAZARDOUS DECOMPOSITION PRODUCTS Hazardous Decomposition Products: Carbon monoxide, Carbon dioxide, Nitrogen oxides. 11 - Toxicological Information RTECS NUMBER: TI5636500 SIGNS AND SYMPTOMS OF EXPOSURE To the best of our knowledge, the chemical, physical, and toxicological properties have not been thoroughly investigated. ROUTE OF EXPOSURE Inhalation: Material is irritating to mucous membranes and upper respiratory tract. Multiple Routes: Causes eye and skin irritation. May be harmful by inhalation, ingestion, or skin absorption. 12 - Ecological Information No data available. 13 - Disposal Considerations SUBSTANCE DISPOSAL Dissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber. Observe all federal, state, and local environmental regulations. 14 - Transport Information RID/ADR Non-hazardous for road transport. IMDG Non-hazardous for sea transport. IATA Non-hazardous for air transport. ALDRICHwww.molbase.com 15 - Regulatory Information CLASSIFICATION AND LABELING ACCORDING TO EU DIRECTIVES INDICATION OF DANGER: Xi Irritant. R-PHRASES: 36/37/38 Irritating to eyes, respiratory system and skin. S-PHRASES: 26-36 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Wear suitable protective clothing. COUNTRY SPECIFIC INFORMATION Germany WGK: 3 Self-Classification 16 - Other Information WARRANTY The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. Inc., shall not be held liable for any damage resulting from handling or from contact with the above product. See reverse side of invoice or packing slip for additional terms and conditions of sale. Copyright 2010 Co. License granted to make unlimitedpaper copies for internal use only. DISCLAIMER For R&D use only. Not for drug, household or other uses. ALDRICHwww.molbase.com SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 急性毒性： 小鼠口服LD：大于500mg/kg，毒性作用的描述没有报告除此以外的其他致死剂量值。 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 RTECS NUMBER : TI5636500 CHEMICAL NAME : Phthalimide, N-propyl- CAS REGISTRY NUMBER : 5323-50-2 BEILSTEIN REFERENCE NO. : 0136976 LAST UPDATED : 199612 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C11-H11-N-O2 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD - Lethal dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : >500 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. (Washington, DC) Volume(issue)/page/year: 5,23,1953

安全

• 安全声明 (欧洲): S22-S24/25
• 海关编码: 2925190090

合成路线

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海关

海关编码	2925190090
中文概述	2925190090 其他酰亚胺及其衍生物盐. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%
申报要素	品名, 成分含量, 用途
Summary	2925190090 other imides and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%