| 中文名 | (S)-N-BOC-2-氨基-3-苯丙氰 |
|---|---|
| 英文名 | (S)-N-BOC-2-Amino-3-phenylpropyl cyanide |
| 中文别名 | (S)-N-逆丁氧羰基-2-氨基-3-苯丙氰 |
| 英文别名 |
(S)-tert-Butyl (1-cyano-3-phenylpropan-2-yl)carbamate
MFCD06658950 tert-butyl N-[(2S)-1-cyano-3-phenylpropan-2-yl]carbamate |
| 密度 | 1.067g/cm3 |
|---|---|
| 沸点 | 432.2ºC at 760mmHg |
| 分子式 | C15H20N2O2 |
| 分子量 | 260.33100 |
| 闪点 | 215.2ºC |
| 精确质量 | 260.15200 |
| PSA | 62.12000 |
| LogP | 3.42698 |
| 蒸汽压 | 1.13E-07mmHg at 25°C |
| 折射率 | 1.514 |
| 储存条件 | 密闭于阴凉干燥环境中 |
| 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：73.43 2、 摩尔体积（m3/mol）：243.9 3、 等张比容（90.2K）：615.8 4、 表面张力（dyne/cm）：40.6 5、 极化率（10-24cm3）：29.11 |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:2.6 2.氢键供体数量:1 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62.1 7.重原子数量:19 8.表面电荷:0 9.复杂度:332 10.同位素原子数量:0 11.确定原子立构中心数量:1 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：白色结晶性粉末 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）：120-125 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 |
Synonym: (S)-N-tert-Butoxycarbonyl-2-amino-3-phenylpropyl cyanide SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 20/21/22 SECTION 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Harmful by inhalation, in contact with skin and if swallowed. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Harmful if absorbed through the skin.
Ingestion: Harmful if swallowed. May cause irritation of the digestive tract. Inhalation: Harmful if inhaled. May cause respiratory tract irritation. 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. 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. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical 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. SECTION 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Storage: Store in a cool, dry place. Store in a tightly closed container. SECTION 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 172695-25-9: 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: 120 - 125 deg C Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: >250 deg C Solubility in water: Specific Gravity/Density: Molecular Formula: C15H20N2O2 Molecular Weight: 260.34 SECTION 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 172695-25-9 unlisted. LD50/LC50: Not available. Carcinogenicity: (S)-N-BOC-2-Amino-3-phenylpropyl cyanide - 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 Shipping Name: TOXIC SOLID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2811 Packing Group: III IMO Shipping Name: TOXIC SOLID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2811 Packing Group: III RID/ADR Shipping Name: TOXIC SOLID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2811 Packing group: III SECTION 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XN Risk Phrases: R 20/21/22 Harmful by inhalation, in contact with skin and if swallowed. Safety Phrases: S 36/37 Wear suitable protective clothing and gloves. WGK (Water Danger/Protection) CAS# 172695-25-9: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 172695-25-9 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 172695-25-9 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION MSDS Creation Date: 10/08/2004 Revision #0 Date: Original. The information above is believed to be accurate and represents the best information currently available to us. However, we make no warranty of merchantability or any other warranty, express or implied, with respect to such information, and we assume no liability resulting from its use. Users should make their own investigations to determine the suitability of the information for their particular purposes. In no way shall the company be liable for any claims, losses, or damages of any third party or for lost profits or any special, indirect, incidental, consequential or exemplary damages, howsoever arising, even if the company has been advised of the possibility of such damages. SECTION 16 - ADDITIONAL INFORMATION N/A |
|
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。
|
|
~76%
172695-25-9 |
| 文献：WO2010/86366 A1, ; Page/Page column 40 ; WO 2010/086366 A1 |
|
~%
172695-25-9 |
| 文献：Organic Preparations and Procedures International, , vol. 26, # 5 p. 599 - 602 |
|
~80%
172695-25-9 |
| 文献：Tetrahedron Letters, , vol. 40, # 13 p. 2629 - 2632 |
|
~%
172695-25-9 |
| 文献：Tetrahedron Letters, , vol. 40, # 13 p. 2629 - 2632 |
|
~%
172695-25-9 |
| 文献：Bulletin de la Societe Chimique de France, , vol. 134, # 7 p. 713 - 718 |
|
~82%
172695-25-9 |
| 文献：Tetrahedron, , vol. 51, # 45 p. 12337 - 12350 |
|
~%
172695-25-9 |
| 文献：Bulletin de la Societe Chimique de France, , vol. 134, # 7 p. 713 - 718 |
|
~%
172695-25-9 |
| 文献：Tetrahedron Letters, , vol. 52, # 51 p. 6968 - 6970 |
|
~%
172695-25-9 |
| 文献：Tetrahedron Letters, , vol. 52, # 51 p. 6968 - 6970 |
| 上游产品 9 | |
|---|---|
| 下游产品 2 | |
| 海关编码 | 2926909090 |
|---|---|
| 中文概述 | 2926909090 其他腈基化合物. 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 | HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
