157887-82-6

• 常用中文名：3-(Fmoc-氨基)-1-丙醇
• 常用英文名：Fmoc-β-Alaninol
• CAS号：157887-82-6
• 分子式：C₁₈H₁₉NO₃
• 分子量：297.348
• 发布时间：2018-12-28 16:36:44
• 更新时间：2024-01-07 15:23:55
• 下载msds

名称

• 中文名: 3-(Fmoc-氨基)-1-丙醇
• 英文名: Fmoc-beta-alaninol
• 英文别名: MFCD00409484; 9H-fluoren-9-ylmethyl N-(3-hydroxypropyl)carbamate; 9H-Fluoren-9-ylmethyl (3-hydroxypropyl)carbamate; Carbamic acid, N-(3-hydroxypropyl)-, 9H-fluoren-9-ylmethyl ester; Fmoc-β-Alaninol

物化性质

• 密度: 1.2±0.1 g/cm3
• 沸点: 518.9±33.0 °C at 760 mmHg
• 熔点: 124-126ºC
• 分子式: C₁₈H₁₉NO₃
• 分子量: 297.348
• 闪点: 267.6±25.4 °C
• 精确质量: 297.136505
• PSA: 58.56000
• LogP: 3.15
• 外观性状: 白色到灰白色 晶体 粉末
• 蒸汽压: 0.0±1.4 mmHg at 25°C
• 折射率: 1.600
• 储存条件:

  密封储存，储存于阴凉、干燥的库房。防潮。常用惰性气体保护。冷藏温度2-8ºC。

• 稳定性:

  常温常压下稳定，避免与强氧化剂接触。

• 计算化学:

  1.疏水参数计算参考值（XlogP）:2.7

  2.氢键供体数量:2

  3.氢键受体数量:3

  4.可旋转化学键数量:6

  5.互变异构体数量:2

  6.拓扑分子极性表面积58.6

  7.重原子数量:22

  8.表面电荷:0

  9.复杂度:351

  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：固体

  2. 密度（g/mL, 25 ℃ ）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：124-126

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC，0.5mmHg）：未确定

  7. 折射率(n20/D)：未确定

  8. 闪点（ºC）：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（mmHg,20ºC）：未确定

  12. 饱和蒸气压（kPa,25ºC）：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: 9H-fluoren-9-ylmethyl n-(3-hydroxypropyl)carbamate 97% Material Safety Data Sheet Synonym: CAS: 157887-82-6 Section 1 - Chemical Product MSDS Name:9H-fluoren-9-ylmethyl n-(3-hydroxypropyl)carbamate 97% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 157887-82-6 9H-Fluoren-9-ylmethyl N-(3-hydroxyprop 97% unlisted Hazard Symbols: None Listed. Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Moisture sensitive. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: May cause respiratory tract irritation. May be harmful if inhaled. Chronic: Not available. 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. Ingestion: Get medical aid. Wash mouth out with water. Inhalation: Remove from exposure and move to fresh air immediately. Notes to Physician: Treat symptomatically and supportively. 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. Extinguishing Media: Use foam, dry chemical, or carbon dioxide. 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. Section 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Storage: Keep refrigerated. (Store below 4C/39F.) Store in a tightly closed container. Store in a dry area. Store under nitrogen. Store under argon. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 157887-82-6: Personal Protective Equipment Eyes: Not available. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. 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: Solid Color: white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 124 - 126 deg C Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C18H19NO3 Molecular Weight: 297 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, exposure to moist air or water. Incompatibilities with Other Materials: Oxidizing agents, acid chlorides, reducing agents, bases, amines. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Will not occur. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 157887-82-6 unlisted. LD50/LC50: Not available. Carcinogenicity: 9H-Fluoren-9-ylmethyl N-(3-hydroxypropyl)carbamate - 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 No information available. IMO No information available. RID/ADR No information available. 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# 157887-82-6: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 157887-82-6 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 157887-82-6 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 个人防护装备: Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
• 危害码 (欧洲): Xi: Irritant;
• 安全声明 (欧洲): 22-24/25
• 危险品运输编码: NONH for all modes of transport

合成路线

28920-43-6 156-87-6 ~92% 157887-82-6

文献：Nasopoulou, Magdalini; Georgiadis, Dimitris; Matziari, Magdalini; Dive, Vincent; Yiotakis, Athanasios Journal of Organic Chemistry, 2007 , vol. 72, # 19 p. 7222 - 7228

82911-69-1 156-87-6 ~97% 157887-82-6

文献：Crestey, Francois; Ottesen, Lars K.; Jaroszewski, Jerzy W.; Franzyk, Henrik Tetrahedron Letters, 2008 , vol. 49, # 41 p. 5890 - 5893

1001067-08-8 156-87-6 ~97% 157887-82-6

文献：Shimizu, Mamoru; Sodeoka, Mikiko Organic Letters, 2007 , vol. 9, # 25 p. 5231 - 5234