52522-49-3

• 常用中文名：1-对硝基苯甲酸-2,3,5-三苄氧基-d-阿拉伯呋喃糖苷
• 常用英文名：2,3,5-Tri-O-benzyl-D-arabinofuranose 1-(4-nitrobenzoate)
• CAS号：52522-49-3
• 分子式：C₃₃H₃₁NO₈
• 分子量：569.601
• 相关类别： 生物化工 糖类化合物 单糖
• 发布时间：2019-01-09 08:22:30
• 更新时间：2025-08-25 12:43:24

名称

• 中文名: 2,3,5-三-O-苄基-D-阿拉伯呋喃糖-1-(4-硝基苯甲酸酯)
• 英文名: 2,3,5-tri-O-benzyl-1,0-(4-nitrobenzoyl)-D-arabinofuranose
• 中文别名: 1-对硝基苯甲酸-2,3,5-三苄氧基-D-阿拉伯呋喃糖苷
• 英文别名: 2,3,5-tri-O-benzyl-1-O-(p-nitrobenzoyl)-D-arabinofuranose; 2,3,5-TRI-O-BENZYL-D-ARABINOFURANOSE-1; 2,3,5-Tri-O-benzyl-D-arabinofuranose 1-(4-nitrobenzoate); 2,3,5-Tri-O-benzyl-1-O-(4-nitrobenzoyl)-D-arabinofuranose; D-Arabinofuranose, 2,3,5-tris-O-(phenylmethyl)-, 4-nitrobenzoate; 1-O-(4-nitrobenzoyl)-2,3,5-tri-O-benzyl-D-arabinofuranose; MFCD00038477; 2,3,5-tri-O -benzyl-1-O-p-nitrobenzoyl-D-arabinofuranose; 2,3,5-tri-O-benzyl-1-(4-nitrobenzoyloxy)-D-arabinofuranose; 4-nitrobenzoate 2,3,5-tris-O-benzyl-D-arabinofuranose; EINECS 257-992-5

物化性质

• 密度: 1.3±0.1 g/cm3
• 沸点: 706.2±60.0 °C at 760 mmHg
• 熔点: 69-72ºC
• 分子式: C₃₃H₃₁NO₈
• 分子量: 569.601
• 闪点: 246.8±34.9 °C
• 精确质量: 569.204956
• PSA: 109.04000
• LogP: 8.36
• 外观性状: 无气味的灰白色粉末
• 蒸汽压: 0.0±2.2 mmHg at 25°C
• 折射率: 1.631
• 储存条件:

  密封、在 -20 ºC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

• 计算化学:

  1、 疏水参数计算参考值（XlogP）：5.6

  2、 氢键供体数量：0

  3、 氢键受体数量：8

  4、 可旋转化学键数量：13

  5、 互变异构体数量：未确定

  6、 拓扑分子极性表面积（TPSA）：106

  7、 重原子数量：42

  8、 表面电荷：0

  9、 复杂度：809

  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：4

  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：粉末

  2. 密度（g/mL,25ºC）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）： 未确定

  4. 熔点（ºC）：70-79

  5. 沸点（ºC）：未确定

  6. 沸点（ºC，13mm hg）：未确定

  7. 折射率：未确定

  8. 闪点（°F）：未确定

  9. 比旋光度（ºC）：未确定

  10. 自燃点或引燃温度（ºC）： 未确定

  11. 蒸气压（kPa,20ºC）：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

Name: 2 3 5-Tri-O-benzyl-1-O-(4-Nitrobenzoyl)-D-Arabinofuranose 97% Material Safety Data Sheet Synonym: None CAS: 52522-49-3 Section 1 - Chemical Product MSDS Name:2 3 5-Tri-O-benzyl-1-O-(4-Nitrobenzoyl)-D-Arabinofuranose 97% Material Safety Data Sheet Synonym:None Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 52522-49-3 2,3,5-Tri-O-benzyl-1-O-(4-Nitrobenzoyl 97% 257-992-5 Hazard Symbols: None Listed. 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. Skin: May cause skin irritation. Ingestion: May cause irritation of the digestive tract. 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. Chronic: No information found. 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. 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: 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 agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate 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: Wash thoroughly after handling. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Storage: 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# 52522-49-3: 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: A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Powder Color: off-white powder Odor: odorless pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 69-72C Autoignition Temperature: Not applicable. Flash Point: Not applicable. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C33H31NO8 Molecular Weight: 569.2189 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, dust generation, excess heat. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide. Hazardous Polymerization: Will not occur. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 52522-49-3 unlisted. LD50/LC50: Not available. Carcinogenicity: 2,3,5-Tri-O-benzyl-1-O-(4-Nitrobenzoyl)-D-Arabinofuranose - 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: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. S 28A After contact with skin, wash immediately with plenty of water. S 37 Wear suitable gloves. S 45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). WGK (Water Danger/Protection) CAS# 52522-49-3: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 52522-49-3 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 52522-49-3 is not listed on the TSCA inventory. It is for research and development use only. 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

安全

• 危害码 (欧洲): Xi
• 安全声明 (欧洲): 24/25
• WGK德国: 3

合成路线

37776-25-3 122-04-3 ~% 52522-49-3

文献：Kadir, Kamaliah; Mackenzie, Grahame; Shaw, Gordon Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1980 , p. 2304 - 2309

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