10549-15-2

• 常用中文名：α-氧代-N-[(R)-1-苯基乙基]苯基乙酰胺
• 常用英文名：ALPHA-OXO-N-[(R)-1-PHENYLETHYL]PHENYLACETAMIDE
• CAS号：10549-15-2
• 分子式：C₁₆H₁₅NO₂
• 分子量：253.29600
• 发布时间：2018-12-06 12:22:07
• 更新时间：2024-01-11 17:46:50
• 下载msds

名称

• 中文名: α-羰基-N-[(R)-1-苯基乙基]苯基乙酰胺
• 英文名: 2-Oxo-2-phenyl-N-[(1R)-1-phenylethyl]acetamide
• 中文别名: Alpha-羰基-N-[(R)-1-苯基乙基]苯基乙酰胺
• 英文别名: Benzeneacetamide,a-oxo-N-(1-phenylethyl)-,(R)-(9CI); |A-Oxo-N-[(R)-1-phenylethyl]phenylacetamide; N-((R)-1-phenylethyl)benzoylformaide; MFCD00192375; Glyoxylamide,N-(a-methylbenzyl)-2-phenyl-,(R)-(+)-(8CI); (R)-2-oxo-2-phenyl-N-(1-phenylethyl)acetamide

物化性质

• 密度: 1.144g/cm3
• 熔点: 110-112ºC(lit.)
• 分子式: C₁₆H₁₅NO₂
• 分子量: 253.29600
• 精确质量: 253.11000
• PSA: 46.17000
• LogP: 3.13760
• 折射率: 1.58
• 储存条件:

  密闭,阴凉干燥处保存

• 稳定性:

  避免强氧化剂

• 分子结构:

  1、 摩尔折射率：73.66

  2、 摩尔体积（m³/mol）：221.3

  3、 等张比容（90.2K）：575.8

  4、 表面张力（dyne/cm）：45.7

  5、 极化率（10^-24cm³）：29.20

• 计算化学:

  1.疏水参数计算参考值（XlogP）:3

  2.氢键供体数量:1

  3.氢键受体数量:2

  4.可旋转化学键数量:4

  5.互变异构体数量:2

  6.拓扑分子极性表面积46.2

  7.重原子数量:19

  8.表面电荷:0

  9.复杂度:315

  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：不可用

  2．密度（g/mL,25/4℃）：不可用

  3．相对蒸汽密度（g/mL,空气=1）：不可用

  4．熔点（ºC）：110-112

  5．沸点（ºC,常压）：不可用

  6．沸点（ºC,5.2kPa）：不可用

  7．折射率：不可用

  8．闪点（ºC）：不可用

  9．比旋光度（º）：不可用

  10．自燃点或引燃温度（ºC）：不可用

  11．蒸气压（kPa,25ºC）：不可用

  12．饱和蒸气压（kPa,60ºC）：不可用

  13．燃烧热（KJ/mol）：不可用

  14．临界温度（ºC）：不可用

  15．临界压力（KPa）：不可用

  16．油水（辛醇/水）分配系数的对数值：不可用

  17．爆炸上限（%,V/V）：不可用

  18．爆炸下限（%,V/V）：不可用

  19．溶解性：不可用

MSDS

Version 1.2 Regulation (EC) No 1907/2006 1 - Product and Company Information Product NameALPHA-OXO-N-((R)-1-PHENYLETHYL)PHENYL- ACETAMIDE, 98% 2 - Hazards Identification 3 - Composition/Information on Ingredients Product NameCAS #EC noAnnex I Index Number ALPHA-OXO-N-((R)-1-PHENYLETHYL)PHE 10549-15-2 NoneNone NYL-ACETAMIDE, 98% FormulaC16H15NO2 Molecular Weight 253,3000 AMU 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 EXTINGUISHING MEDIA Suitable: Water spray. Carbon dioxide, dry chemical powder, or ALDRICHwww.molbase.com 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: Avoid inhalation. Avoid contact with eyes, skin, and clothing. Avoid prolonged or repeated exposure. STORAGE Conditions of Storage: Keep tightly 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 contaminated clothing before reuse. Wash thoroughly after handling. PERSONAL PROTECTIVE EQUIPMENT Respiratory Protection: Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU). Respiratory protection is not required. Where protection is desired, use multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges. Hand Protection: Compatible chemical-resistant gloves. Eye Protection: Chemical safety goggles. 9 - Physical and Chemical Properties pH N/A BP/BP RangeN/A MP/MP Range110,000. - 112,000 ° C. Flash PointN/A FlammabilityN/A Autoignition TempN/A Oxidizing Properties N/A Explosive Properties N/A ALDRICHwww.molbase.com Explosion LimitsN/A 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 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 Skin Contact: May cause skin irritation. Eye Contact: May cause eye irritation. Multiple Routes: 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 Caution: Substance not yet fully tested (EU). 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：不可用。 生态学数据: 1、其它有害作用：该物质对环境可能有危害，对水体应给予特别注意。

安全

• 危险品运输编码: NONH for all modes of transport
• WGK德国: 3
• 海关编码: 2924299090

合成路线

3886-69-9 98-86-2 ~86% 10549-15-2

文献：Zhang, Zhenlei; Su, Jihu; Zha, Zhenggen; Wang, Zhiyong Chemical Communications, 2013 , vol. 49, # 79 p. 8982 - 8984

3886-69-9 611-73-4 ~91% 10549-15-2

文献：Takeuchi, Yoshio; Itoh, Noriaki; Satoh, Toshihiro; Koizumi, Toru; Yamaguchi, Kentaro Journal of Organic Chemistry, 1993 , vol. 58, # 7 p. 1812 - 1820

25726-04-9 3886-69-9 ~% 10549-15-2

文献：Harada,K.; Matsumoto,K. Journal of Organic Chemistry, 1967 , vol. 32, p. 1794 - 1800

上下游产品

上游产品  4
3886-69-9 98-86-2 611-73-4 25726-04-9
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海关

海关编码	2924299090
中文概述	2924299090. 其他环酰胺（包括环氨基甲酸酯）（包括其衍生物以及他们的盐）. 增值税率:17.0%. 退税率:13.0%. 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, 包装
Summary	2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%