3-(硫茚基)-L-丙氨酸二盐酸

  • 基本信息
  • 物化性质
  • 安全信息
  • MSDS
  • 海关数据
  • 结构与计算化学

3-(硫茚基)-L-丙氨酸二盐酸 基本信息

中文名称:
3-(硫茚基)-L-丙氨酸二盐酸 
中文别名:
3-(硫茚基)-L-丙氨酸二盐酸;
(2S)-2-amino-3-(1-benzothiophen-3-yl)propanoic acid,hydrochloride 
英文名称:
Benzo[b]thiophene-3-propanoicacid, a-amino-, hydrochloride (1:1), (aS)-
英文别名:
(2S)-2-amino-3-(1-benzothiophen-3-yl)propanoic acid,hydrochloride;
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 
CAS No.:
308103-39-1
分 子 式:
C11H11NO2S.ClH
分 子 量:
257.74
精确分子量:
257.02800
PSA:
91.56000
风险术语:
36/37/38
分子结构式:
SDS:
查看

3-(硫茚基)-L-丙氨酸二盐酸 物化性质

熔点:
250 °C (dec.)(lit.)
其它信息:

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

3-(硫茚基)-L-丙氨酸二盐酸 安全信息

海关代码:
2934999090
危险类别码:
36/37/38
安全说明:
26-36

3-(硫茚基)-L-丙氨酸二盐酸 MSDS

    Date Updated: 12/FEB/2006
    Version 1.2
    Regulation (EC) No 1907/2006
    ________________________________________________________________________
    1 - Product and Company Information
    ________________________________________________________________________
    Product Name        3-(THIANAPHTHEN-3-YL)-L-ALANINE HYDRO-    
    CHLORIDE, 98%
    Product Number        468827    
    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 Name        CAS #        EC no        Annex I    
    Index Number
    3-(THIANAPHTHEN-3-YL)-D-ALANINE None        None        None    
    HYDRO-CHLORIDE, 98%
    Formula        C11H11NO2S    
    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 Range        N/A    
    MP/MP Range        266,000 °C    
    Flash Point        N/A    
    Flammability        N/A    
    Autoignition Temp        N/A    
    Oxidizing Properties N/A
    Explosive Properties N/A
    Explosion Limits        N/A    
    Vapor Pressure        N/A    
    Partition Coefficient N/A
    Viscosity        N/A    
    Vapor Density        N/A    
    Saturated Vapor Conc. N/A
    Evaporation Rate        N/A    
    Bulk Density        N/A    
    Decomposition Temp.        N/A    
    Solvent Content        N/A    
    Water Content        N/A    
    Surface Tension        N/A    
    Conductivity        N/A    
    Miscellaneous Data        N/A    
    Solubility        N/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

3-(硫茚基)-L-丙氨酸二盐酸 海关数据

中国海关编码:2934999090

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
摘要/Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

3-(硫茚基)-L-丙氨酸二盐酸 分子结构与计算化学数据

计算化学数据

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

推荐供应商更多供应商>>

上海楚肽生物科技有限公司

产品介绍:
产品名称:H-β-(3-Benzothienyl)-D-Ala-OH Cas号:308103-39-1 纯度:>98% 包装信息:1g,10g,100g,1kg,100kg 价格:洽谈
联系方式:
联系人:吴经理 电话:021-50673982 手机:17321195801
QQ: 2241752642
微信二维码
电话: 19906633110