857637-92-4

• 常用中文名：(4S,5R)-(-)-4-苄基-5-(3,3,4,4,5,5,6,6,7,7,8,8,8-三氟氟辛基)-2-恶唑烷酮
• 常用英文名：(4S,5R)-(-)-4-Benzyl-5-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-2-oxazolidinone,99
• CAS号：857637-92-4
• 分子式：C₁₈H₁₄F₁₃NO₂
• 分子量：523.28900
• 发布时间：2017-04-16 19:43:24
• 更新时间：2024-01-08 08:16:44

名称

• 中文名: (4S,5R)-(-)-4-苄基-5-(3,3,4,4,5,5,6,6,7,7,8,8,8-三氟氟辛基)-2-恶唑烷酮
• 英文名: (4S,5R)-4-benzyl-5-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-1,3-oxazolidin-2-one
• 英文别名: 2-Oxazolidinone,4-(phenylmethyl)-5-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-,(4S,5R); (4S,5R)-4-benzyl-5-(1'H,1'H,2'H,2'H-perfluorooctyl)-2-oxazolidinone; (4S,5R)-4-benzyl-5-(1'H,1'H,2'H,2'H-perfluorooctyl)-oxazolidin-2-one; (4S,5R)-(-)-4-Benzyl-5-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-2-oxazolidinone

物化性质

• 分子式: C₁₈H₁₄F₁₃NO₂
• 分子量: 523.28900
• 精确质量: 523.08200
• PSA: 41.82000
• LogP: 5.86510
• 储存条件:

  密封于阴凉干燥环境中

• 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：无可用

  2、 摩尔体积（cm³/mol）：无可用

  3、 等张比容（90.2K）：无可用

  4、 表面张力（dyne/cm）：无可用

  5、 极化率：无可用

• 计算化学:

  1.疏水参数计算参考值（XlogP）:7

  2.氢键供体数量:1

  3.氢键受体数量:15

  4.可旋转化学键数量:9

  5.互变异构体数量:2

  6.拓扑分子极性表面积38.3

  7.重原子数量:34

  8.表面电荷:0

  9.复杂度:732

  10.同位素原子数量:0

  11.确定原子立构中心数量:2

  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：无可用

  2. 密度（g/mL,25/4℃）：无可用

  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）：无可用

  6. 沸点（ºC,5.2kPa）：无可用

  7. 折射率：无可用

  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

MSDS

Section 1: Product Identification Chemical Name:(4S,5R)-(-)-4-Benzyl-5-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl-2-oxazolidinone, 99% CAS Registry Number:857637-92-4 Formula:C18H14F13NO2 EINECS Number:none Chemical Family:organic amine Synonym:(4S,5R)-(-)-4-Benzyl-5-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-octyl)-oxazolidin-2-one Section 2: Composition and Information on Ingredients IngredientCAS NumberPercentACGIH (TWA)OSHA (PEL) Title compound857637-92-4100%2.5mg/m3 (as F)2.5mg/m3 (as F) Section 3: Hazards Identification Emergency Overview:Irritating to skin, eyes and respiratory tract. Primary Routes of Exposure:Ingestion, inhalation, skin, eyes Eye Contact:Causes irritation of the eyes. Skin Contact:Causes irritation of the skin. Inhalation:Irritating to the nose, mucous membranes and respiratory tract. Ingestion:No information available on the physiological effects of ingestion. May be harmful if swallowed. Acute Health Affects:Irritating to skin, eyes and respiratory tract. Product contains fluorine which under certain conditions of use, decomposition, or metabolism, may generate Chronic Health Affects:fluoride ion, causing, nausea, vomiting, labored breathing, hypocalcaemia, deterioration of bone and tooth structure, kidney and liver damage. NTP:No IARC:No OSHA:No SECTION 4: First Aid Measures Immediately flush the eyes with copious amounts of water for at least 10-15 minutes. A victim may need Eye Exposure: assistance in keeping their eye lids open. Get immediate medical attention. Wash the affected area with water. Remove contaminated clothes if necessary. Seek medical assistance if Skin Exposure: irritation persists. Remove the victim to fresh air. Closely monitor the victim for signs of respiratory problems, such as difficulty Inhalation: in breathing, coughing, wheezing, or pain. In such cases seek immediate medical assistance. Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious). Induce Ingestion: vomiting only if directed by medical personnel. SECTION 5: Fire Fighting Measures Flash Point:none Autoignition Temperature:none Explosion Limits:none Extinguishing Medium:carbon dioxide, dry powder or foam If this product is involved in a fire, fire fighters should be equipped with a NIOSH approved positive pressure Special Fire Fighting Procedures: self-contained breathing apparatus and full protective clothing. Hazardous Combustion andIf involved in a fire, this material may emit toxic and irritating fumes. Decomposion Products: Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards. SECTION 6: Accidental Release Measures Spill and Leak Procedures:Small spills can be mixed with vermiculite or sodium carbonate and swept up. SECTION 7: Handling and Storage Handling and Storage:Store in a tightly sealed container. Keep in a cool, dry, well ventilated place. SECTION 8: Exposure Controls and Personal Protection Eye Protection:Always wear approved safety glasses when handling a chemical substance in the laboratory. Skin Protection:Wear protective clothing and gloves. Ventilation:Handle the material in an efficient fume hood. If ventilation is not available a respirator should be worn. The use of respirators requires a Respirator Respirator: Protection Program to be in compliance with 29 CFR 1910.134. Ventilation:Handle the material in an efficient fume hood. Additional Protection:No additional protection required. SECTION 9: Physical and Chemical Properties Color and Form:white powder Molecular Weight:523.29 Melting Point:90-95° Boiling Point:no data Vapor Pressure:no data Specific Gravity:no data Odor:not determined Solubility in Water:insoluble SECTION 10: Stability and Reactivity Stability:air and moisture stable Hazardous Polymerization:no hazardous polymerization Conditions to Avoid:none Incompatibility:strong oxidizing agents Decomposition Products:carbon monoxide, carbon dioxide, carbonyl fluoride, nitrogen oxides and organic fumes SECTION 11: Toxicological Information RTECS Data:No information available in the RTECS files. Carcinogenic Effects:No data Mutagenic Effects:No data Tetratogenic Effects:No data SECTION 12: Ecological Information Ecological Information:No information available SECTION 13: Disposal Considerations Disposal:Dispose of according to local, state and federal regulations. SECTION 14: Transportation Shipping Name (CFR):Non-hazardous Hazard Class (CFR):NA Additional Hazard Class (CFR):NA Packaging Group (CFR):NA UN ID Number (CFR):NA Shipping Name (IATA):Non-hazardous Hazard Class (IATA):NA Additional Hazard Class (IATA):NA Packaging Group (IATA):NA UN ID Number (IATA):NA SECTION 15: Regulatory Information TSCA:Not listed in the TSCA inventory SARA (Title 313):Title compound not listed Second Ingredient:Not listed in the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

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。

合成路线

上下游产品

上游产品  9
871210-17-2 871210-15-0 857637-85-5 857637-81-1
857637-84-4 857637-83-3 857637-86-6 63-91-2
871210-02-5
下游产品  0