29739-88-6

• 常用中文名：N-(p-甲苯磺酰基)-L-苯丙氨酰氯
• 常用英文名：N-(p-Tosyl)-L-phenylalaninyl chloride
• CAS号：29739-88-6
• 分子式：C₁₆H₁₆ClNO₃S
• 分子量：337.82100
• 发布时间：2018-12-22 14:36:28
• 更新时间：2024-01-07 23:09:34

名称

• 中文名: N-对甲苯磺酰基-L-苯丙氨酰氯
• 英文名: (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl chloride
• 中文别名: 甲苯磺酰苯基丙氨酰氯; N-(p-甲苯磺酰基)-L-苯丙氨酰氯; N-(P-对甲苯磺酰基)-L-苯丙氨氯; N-对甲苯磺酰-L-苯内氨氯
• 英文别名: (S)-3-phenyl-2-(toluene-4-sulfonylamino)propionyl chloride; N-p-toluenesulphonyl-L-phenylalanyl chloride; (S)-2-(4-methylphenylsulfonamido)-3-phenylpropanoyl chloride; N-(p-toluenesulfonyl)-S-phenylalanine chloride; Tosyl-L-phenylalanyl Chloride; MFCD00191583; (S)-N-(p-tosyl)phenylalaninyl chloride; 3-phenyl-2-(toluene-4-sulfonylamino)-propionyl chloride; N-p-Tosyl-L-phenylalaninyl chloride; N-(p-toluenesulfonyl)-L-phenylalanyl chloride

物化性质

• 密度: 1.304g/cm3
• 沸点: 492.1ºC at 760 mmHg
• 熔点: 132 °C (dec.)(lit.)
• 分子式: C₁₆H₁₆ClNO₃S
• 分子量: 337.82100
• 闪点: 251.4ºC
• 精确质量: 337.05400
• PSA: 71.62000
• LogP: 4.12170
• 外观性状: 固体;White to Orange to Green powder to crystal
• 蒸汽压: 7.91E-10mmHg at 25°C
• 折射率: 10 ° (C=3, CHCl3)
• 储存条件:

  保持贮藏器密封、储存在阴凉、干燥的地方，确保工作间有良好的通风或排气装置

• 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）:3.8

  2.氢键供体数量:1

  3.氢键受体数量:4

  4.可旋转化学键数量:6

  5.互变异构体数量:无

  6.拓扑分子极性表面积71.6

  7.重原子数量:22

  8.表面电荷:0

  9.复杂度:460

  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：未确定

  2. 密度（g/mL,20℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：132

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC, KPa）：未确定

  7. 折射率：10º（C=3，CHCl3）

  8. 闪点（ºC）：未确定

  9. 比旋光度（º）：11

  10. 自燃点或引燃温度（ºC）：未确定

  11. 蒸气压（Pa,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

N-(p-Toluenesulfonyl)-L-phenylalanyl Chloride [Optical Revision number: 5 Resolving Reagent for Alcohols] SAFETY DATA SHEET Section1. IDENTIFICATION Product name:N-(p-Toluenesulfonyl)-L-phenylalanyl Chloride [Optical Resolving Reagent for Alcohols] Revision number:5 Section2. HAZARDS IDENTIFICATION GHS classification PHYSICAL HAZARDS Corrosive to metalsCategory 1 HEALTH HAZARDS Skin corrosion/irritationCategory 1B Serious eye damage/eye irritationCategory 1 ENVIRONMENTAL HAZARDSNot classified GHS label elements, including precautionary statements Pictograms or hazard symbols Danger Signal word Hazard statementsMay be corrosive to metals Causes severe skin burns and eye damage Precautionary statements: Keep only in original container. [Prevention] Do not breathe dust/fume/gas/mist/vapours/spray. Wash hands thoroughly after handling. Wear protective gloves/eye protection/face protection. [Response]IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing. IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse skin with water/shower. Wash contaminated clothing before reuse. Immediately call a POISON CENTER or doctor/physician. Absorb spillage to prevent material damage. [Storage]Store locked up. Dispose of contents/container through a waste management company authorized by [Disposal] the local government. [Optical Resolving Reagent for Alcohols] Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substance/mixture:Substance Components:N-(p-Toluenesulfonyl)-L-phenylalanyl Chloride [Optical Resolving Reagent for Alcohols] Percent:>97.0%(T) CAS Number:29739-88-6 Synonyms:Tosyl-L-phenylalanyl Chloride Chemical Formula:C16H16ClNO3S Section4. FIRST AID MEASURES Inhalation:Remove victim to fresh air and keep at rest in a position comfortable for breathing. Immediately call a POISON CENTER or doctor/physician. Skin contact:Remove/Take off immediately all contaminated clothing. Gently wash with plenty of soap and water. Immediately call a POISON CENTER or doctor/physician. Eye contact:Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.Immediately call a POISON CENTER or doctor/physician. Ingestion:Immediately call a POISON CENTER or doctor/physician. Rinse mouth. Do NOT induce vomiting. Protection of first-aiders:A rescuer should wear personal protective equipment, such as rubber gloves and air- tight goggles. Section5. FIRE-FIGHTING MEASURES Suitable extinguishingDry chemical, carbon dioxide. media: Unsuitable extinguishing Water media: Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to from the chemical:generate poisonous fume. Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing method according to the surrounding situation is used. Uninvolved persons should evacuate to a safe place. In case of fire in the surroundings: Remove movable containers if safe to do so. When extinguishing fire, be sure to wear personal protective equipment. Special protective equipment for firefighters: Section6. ACCIDENTAL RELEASE MEASURES Personal precautions,Use extra personal protective equipment (P3 filter respirator for toxic particles). Keep protective equipment and people away from and upwind of spill/leak. Entry to non-involved personnel should emergency procedures: be controlled around the leakage area by roping off, etc. Environmental precautions: Prevent product from entering drains. Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it. containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with up: appropriate laws and regulations. Prevention of secondary Do not allow contact with water. Remove all sources of ignition. Fire-extinguishing hazards:devices should be prepared in case of a fire. Use spark-proof tools and explosion- proof equipment. Section7. HANDLING AND STORAGE Precautions for safe handling Handling is performed in a well ventilated place. Wear suitable protective equipment. Technical measures: Prevent dispersion of dust. Wash hands and face thoroughly after handling. Use a closed system if possible. Use a local exhaust if dust or aerosol will be generated. Avoid contact with skin, eyes and clothing. Advice on safe handling: [Optical Resolving Reagent for Alcohols] Section7. HANDLING AND STORAGE May develop pressure. Open carefully. Use corrosive resistant equipment. Conditions for safe storage, including any incompatibilities Storage conditions:Keep container tightly closed. Store in a cool and dark place. Store under inert gas. Protect from moisture. Store locked up. Store away from incompatible materials such as oxidizing agents. Moisture-sensitive Packaging material:Comply with laws. Keep only in original container. Section8. EXPOSURE CONTROLS / PERSONAL PROTECTION Engineering controls:Install a closed system or local exhaust. Also install safety shower and eye bath. Personal protective equipment Respiratory protection: Dust respirator, self-contained breathing apparatus(SCBA), supplied air respirator, etc. Use respirators approved under appropriate government standards and follow local and national regulations. Impervious gloves. Hand protection: Eye protection:Safety goggles. A face-shield, if the situation requires. Skin and body protection: Impervious protective clothing. Protective boots, if the situation requires. Section9. PHYSICAL AND CHEMICAL PROPERTIES Physical state (20°C):Solid Form:Crystal- Powder White - Pale yellow Colour: Odour:No data available pH: No data available Melting point/freezing point:132°C (dec.) No data available Boiling point/range: Flash point:No data available Flammability or explosive limits: Lower:No data available Upper:No data available Relative density:No data available Solubility(ies): No data available [Water] [Other solvents]No data available Section10. STABILITY AND REACTIVITY Chemical stability:Stable under proper conditions. Possibility of hazardous Decomposes in contact with water and liberates toxic gases. reactions: Conditions to avoid:Moisture Incompatible materials: Oxidizing agents Hazardous decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx), Sulfur oxides, Hydrogen products:chloride Section11. TOXICOLOGICAL INFORMATION No data available Acute Toxicity: Skin corrosion/irritation: No data available Serious eyeNo data available damage/irritation: Germ cell mutagenicity: No data available Carcinogenicity: [Optical Resolving Reagent for Alcohols] Section11. TOXICOLOGICAL INFORMATION IARC =No data available NTP =No data available Reproductive toxicity:No data available Section12. ECOLOGICAL INFORMATION Ecotoxicity: No data available Fish: Crustacea:No data available No data available Algae: Persistence / degradability: No data available No data available Bioaccumulative potential(BCF): Mobility in soil Log Pow:No data available No data available Soil adsorption (Koc): Henry's LawNo data available constant(PaM3/mol): Section13. DISPOSAL CONSIDERATIONS Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when disposing of the substance. Section14. TRANSPORT INFORMATION Hazards Class:8: Corrosive. 3261 UN-No: Proper shipping name:Corrosive solid, acidic, organic, n.o.s. II Packing group: Section15. REGULATORY INFORMATION Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002 and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were prescribed. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 若无政府许可，勿将材料排入周围环境。

安全

• 危害码 (欧洲): C: Corrosive;
• 风险声明 (欧洲): R34
• 安全声明 (欧洲): S22-S26-S27-S36/37/39-S45
• 危险品运输编码: UN 3261 8/PG 2
• WGK德国: 3
• 包装等级: III
• 危险类别: 8
• 海关编码: 2935009090

海关

海关编码	2935009090
中文概述	2935009090 其他磺（酰）胺. 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:35.0%
申报要素	品名, 成分含量, 用途
Summary	2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0%