308103-39-1

• 常用中文名：(S)-2-氨基-3-(1-苯并噻吩-3-基)丙酸盐酸
• 常用英文名：3-(THIANAPHTHEN-3-YL)-L-ALANINE HYDRO-
• CAS号：308103-39-1
• 分子式：C₁₁H₁₂ClNO₂S
• 分子量：257.73600
• 发布时间：2016-02-06 00:55:43
• 更新时间：2024-09-29 11:24:12

名称

• 中文名: (S)-2-氨基-3-(1-苯并噻吩-3-基)丙酸盐酸
• 英文名: (2S)-2-amino-3-(1-benzothiophen-3-yl)propanoic acid,hydrochloride
• 英文别名: BIDD:GT0083; (2S)-2-amino-3-benzo[b]thiophen-3-ylpropanoic acid,chloride; 3-(Benzo[b]thiophen-3-yl)-L-alanine hydrochloride; 3-(thianaphthen-3-yl)-L-alanine

物化性质

• 熔点: 250 ℃ (dec.)(lit.)
• 分子式: C₁₁H₁₂ClNO₂S
• 分子量: 257.73600
• 精确质量: 257.02800
• PSA: 91.56000
• LogP: 3.35800
• 储存条件: 室温
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:3

  3.氢键受体数量:4

  4.可旋转化学键数量:3

  5.互变异构体数量:无

  6.拓扑分子极性表面积91.6

  7.重原子数量:16

  8.表面电荷:0

  9.复杂度:247

  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:2

• 更多:

  1. 性状：未确定

  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）：250

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC 760mmHg）：未确定

  7. 折射率（n20/D）：未确定

  8. 闪点（ºC）：未确定

  9. 比旋光度（）：未确定

  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, 20ºC）：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

Date Updated: 12/FEB/2006 Version 1.2 Regulation (EC) No 1907/2006 ________________________________________________________________________ 1 - Product and Company Information ________________________________________________________________________ Product Name3-(THIANAPHTHEN-3-YL)-L-ALANINE HYDRO- CHLORIDE, 98% Product Number468827 Company Century Ba-Shi Building 22A-B, 200020 Shanghai Technical Phone #86-21-61415566 Fax 86-21-61415567 E-mail Address ________________________________________________________________________ 2 - Hazards Identification ________________________________________________________________________ SPECIAL INDICATION OF HAZARDS TO HUMANS AND THE ENVIRONMENT Irritating to eyes, respiratory system and skin. ________________________________________________________________________ 3 - Composition/Information on Ingredients ________________________________________________________________________ Product NameCAS #EC noAnnex I Index Number 3-(THIANAPHTHEN-3-YL)-D-ALANINE NoneNoneNone HYDRO-CHLORIDE, 98% FormulaC11H11NO2S Molecular Weight 257,7400 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 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 self-contained breathing apparatus, 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 contact and inhalation. Do not get in eyes, on skin, on clothing. STORAGE Conditions of Storage: Keep tightly closed. Store at 2-8°C ________________________________________________________________________ 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). Where risk assessment shows air-purifying respirators are appropriate use a dust mask type N95 (US) or type P1 (EN 143) respirator. Hand Protection: Rubber gloves. Eye Protection: Chemical safety goggles. ________________________________________________________________________ 9 - Physical and Chemical Properties ________________________________________________________________________ pH N/A BP/BP RangeN/A MP/MP Range266,000 °C Flash PointN/A FlammabilityN/A Autoignition TempN/A Oxidizing Properties N/A Explosive Properties N/A 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 Conditions of Instability: Moisture. Conditions to Avoid: Moisture. Materials to Avoid: Strong oxidizing agents. HAZARDOUS DECOMPOSITION PRODUCTS Hazardous Decomposition Products: Carbon monoxide, Carbon dioxide, Nitrogen oxides, Sulfur 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 Inhalation: Material is irritating to mucous membranes and upper respiratory tract. Multiple Routes: Causes eye and skin irritation. 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. ________________________________________________________________________ 15 - Regulatory Information ________________________________________________________________________ CLASSIFICATION AND LABELING ACCORDING TO EU DIRECTIVES INDICATION OF DANGER: Xi Irritant. R-PHRASES: 36/37/38 Irritating to eyes, respiratory system and skin. S-PHRASES: 26-36 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Wear suitable protective clothing. 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 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. unlimitedpaper copies for internal use only. DISCLAIMER For R&D use only. Not for drug, household or other uses. 模块 15 - 法规信息 N/A 模块16 - 其他信息 N/A

安全

• 风险声明 (欧洲): 36/37/38
• 安全声明 (欧洲): 26-36
• 海关编码: 2934999090

海关

海关编码	2934999090
中文概述	2934999090. 其他杂环化合物. 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:20.0%
申报要素	品名, 成分含量, 用途
Summary	2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%