6-氯-3-吲哚基-D-吡喃半乳糖苷

6-氯-3-吲哚基-D-吡喃半乳糖苷 基本信息
CAS号 138182-21-5 分子式 C14H16ClNO6
分子量 329.73300 精确质量 　329.06700
PSA 　115.17000 LogP 　0.00000
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目录
基本信息 物化性质 安全信息 毒性 MSDS 结构与计算数据

基本信息 展开↓

CAS号：
138182-21-5
3D弹球模型：
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分子式：
C14H16ClNO6
分子量：
329.73300
中文名称：
6-氯-3-吲哚基-D-吡喃半乳糖苷
英文名称：
6-Chloro-1H-indol-3-yl-β-D-galactopyranoside
中文别名：
6-氯-3-吲哚基-D-吡喃半乳糖苷;
6-氯-3-吲哚-β-D-半乳糖皮蒽;
6-氯-3-吲哚基-β-D-吡喃半乳糖苷;
6-氯-3-吲哚基-b-D-吡喃半乳糖苷
英文别名：
6-Chloro-1H-indol-3-yl-β-D-galactopyranoside;
ROSE-GAL;
SALMON-GAL;
6-Chloro-3-indolyl-beta-D-galactopyranoside;
ROSE(TM)-GLUCOSIDE;
Salmon-GalRose-Gal;
SALMON GLU;
6-chloro-1H-indol-3-yl-b-D-galactopyranoside;
RED-GAL(R);
ROSE(TM)-GAL;
SALMON GLUCOSIDE;
SALMON GALACTOSIDE;
6-Chloro-3-indolyl β-D-Galactopyranoside
精确分子量/精确质量：
329.06700
极性分子表面积/PSA：
115.17000
油水分配系数/LogP：

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
贝尔斯坦号/MDL：
MFCD00467206
PubChem：
24854972
InChI：
The Key: OQWBAXBVBGNSPW-MBJXGIAVSA-N

物化性质展开↓

密度：
1.641g/cm3
沸点：
630.2ºC at 760mmHg
闪点：
334.9ºC
折射率：
1.717
存储条件/存储方法：

密封、在2 ºC -8 ºC下保存

稳定性相关：

避免强氧化剂

其它信息：

1.        性状：亮棕色粉末

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）：未确定

5.         沸点（ºC,常压）：未确定

6.         沸点（ºC,KPa）：未确定

7.         折射率：未确定

8.         闪点（ºC）：未确定

9.         比旋光度（º）：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：微溶于水

安全信息展开↓

WGK_Germany：
3
德国有关水污染物质的分类清单
危险类别码：
36/37/38
安全说明：
S24/25-S36-S26
安全标志：
S24/25:防止皮肤和眼睛接触。
危险标志：
Xi

毒理性展开↓

生态数据：

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。

MSDS 展开↓

  6-Chloro-3-indolyl β-D-Galactopyranoside [for      Revision number: 5    
  Biochemical Research]
  SAFETY DATA SHEET
Section 1. IDENTIFICATION
    6-Chloro-3-indolyl β-D-Galactopyranoside [for Biochemical Research]
  Product name:
                  

  Revision number:        5    
Section 2. HAZARDS IDENTIFICATION
  GHS classification
    Not classified
  PHYSICAL HAZARDS
  HEALTH HAZARDS        Not classified    
    Not classified
  ENVIRONMENTAL HAZARDS
  GHS label elements, including precautionary statements
    None
  Pictograms or hazard symbols
  Signal word        No signal word    
    None
  Hazard statements
  Precautionary statements:        None    
Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Substance    
  Components:        6-Chloro-3-indolyl β-D-Galactopyranoside [for Biochemical Research]    
  Percent:        >98.0%(LC)    
  CAS Number:        138182-21-5    
  Synonyms:        Salmon-Gal , Rose-Gal    
    C14H16ClNO6
  Chemical Formula:
Section 4. FIRST AID MEASURES
  Inhalation:        Remove victim to fresh air and keep at rest in a position comfortable for breathing.    
    Get medical advice/attention if you feel unwell.
  Skin contact:        Remove/Take off immediately all contaminated clothing. Rinse skin with    
    water/shower. If skin irritation or rash occurs: Get medical advice/attention.
  Eye contact:        Rinse cautiously with water for several minutes. Remove contact lenses, if present    
    and easy to do. Continue rinsing. If eye irritation persists: Get medical
    advice/attention.
  Ingestion:        Get medical advice/attention if you feel unwell. Rinse mouth.    
    A rescuer should wear personal protective equipment, such as rubber gloves and air-
  Protection of first-aiders:
    tight goggles.
Section 5. FIRE-FIGHTING MEASURES
  Suitable extinguishing        Dry chemical, foam, water spray, carbon dioxide.    
  media:
  Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to
  from the chemical:        generate poisonous fume.    
  Biochemical Research]
Section 5. FIRE-FIGHTING MEASURES
  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:
Section 6. ACCIDENTAL RELEASE MEASURES
  Personal precautions,        Use personal protective equipment. Keep people away from and upwind of spill/leak.    
  protective equipment and Entry to non-involved personnel should be controlled around the leakage area by
  emergency procedures: 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.
Section 7. HANDLING AND STORAGE
  Precautions for safe handling
  Technical measures:        Handling is performed in a well ventilated place. Wear suitable protective equipment.    
    Prevent dispersion of dust. Wash hands and face thoroughly after handling.
    Use a local exhaust if dust or aerosol will be generated.
  Advice on safe handling: Avoid contact with skin, eyes and clothing.
  Conditions for safe storage, including any
  incompatibilities
  Storage conditions:        Keep container tightly closed. Store in a freezer.    
    Store under inert gas.
    Store away from incompatible materials such as oxidizing agents.
    Heat-sensitive, Light-sensitive, Air-sensitive
  Packaging material:        Comply with laws.    
Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
  Engineering controls:        Install a closed system or local exhaust as possible so that workers should not be    
    exposed directly. Also install safety shower and eye bath.
  Personal protective equipment
  Respiratory protection: Dust respirator. Follow local and national regulations.
  Hand protection:        Protective gloves.    
  Eye protection:        Safety glasses. A face-shield, if the situation requires.    
  Skin and body protection: Protective clothing. Protective boots, if the situation requires.
Section 9. PHYSICAL AND CHEMICAL PROPERTIES
    Solid
  Physical state (20°C):
  Form:        Crystal- Powder    
  Colour:        White - Slightly pale yellow    
  Odour:        No data available    
  pH: No data available
  Melting point/freezing point:No data available
  Boiling point/range:        No data available    
    No data available
  Flash point:
  Flammability or explosive
  limits:
  Lower:        No data available    
    No data available
  Upper:
  Relative density:        No data available    
  Solubility(ies):
  [Water]        No data available    
  [Other solvents]        No data available    
  Biochemical Research]
Section 10. STABILITY AND REACTIVITY
  Chemical stability:        Stable under proper conditions.    
  Possibility of hazardous No special reactivity has been reported.
  reactions:
  Incompatible materials: Oxidizing agents
  Hazardous decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx), Hydrogen chloride
  products:
Section 11. TOXICOLOGICAL INFORMATION
  Acute Toxicity:        No data available    
  Skin corrosion/irritation: No data available
  Serious eye        No data available    
  damage/irritation:
  Germ cell mutagenicity: No data available
  Carcinogenicity:
  IARC =        No data available    
  NTP =        No data available    
  Reproductive toxicity:        No data available    
Section 12. 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 Law        No data available    
  constant(PaM3/mol):
Section 13. 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.
Section 14. TRANSPORT INFORMATION
  Hazards Class:        Does not correspond to the classification standard of the United Nations    
    Not listed
  UN-No:
Section 15. 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.
  Biochemical Research]

SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据展开↓

分子结构数据

1、摩尔折射率：79.13

2、摩尔体积（cm3/mol）：200.9

3、等张比容（90.2K）：596.4

4、表面张力（dyne/cm）：77.7

5、介电常数：无可用的

6、极化率（10-24cm3）：31.36

7、单一同位素质量：329.066615 Da

8、标称质量：329 Da

9、平均质量：329.7329 Da

计算化学数据

1、   疏水参数计算参考值（XlogP）：0.5

2、   氢键供体数量：5

3、   氢键受体数量：6

4、   可旋转化学键数量：3

5、   互变异构体数量：

6、   拓扑分子极性表面积（TPSA）：115

7、   重原子数量：22

8、   表面电荷：0

9、   复杂度：388

10、同位素原子数量：0

11、确定原子立构中心数量：5

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

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