5-溴-4-氯-3-吲哚-β-D-吡喃木糖苷

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 结构与计算化学

5-溴-4-氯-3-吲哚-β-D-吡喃木糖苷 基本信息

中文名称:
5-溴-4-氯-3-吲哚-β-D-吡喃木糖苷 
中文别名:
5-溴-4-氯-3-吲哚-β-D-吡喃木糖苷;
5-溴-4-氯-3-吲哚基-beta-d-木糖苷;
5-溴-4-氯-3-吲哚-Β-D-吡喃木糖苷;
5-溴-4-氯-3-吲哚基-β-D-吡喃木糖苷 
英文名称:
5-bromo-4-chloro-3-indoxyl-β-D-xylopyranoside
英文别名:
(2S,3R,4S,5R)-2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]oxane-3,4,5-triol;
X-Xyl 
CAS No.:
207606-55-1
分 子 式:
C13H13BrClNO5
分 子 量:
378.6
精确分子量:
376.96700
PSA:
94.94000
MDL:
MFCD00152013
InChI:
InChI=1/C13H13BrClNO5/c14-5-1-2-6-9(10(5)15)8(3-16-6)21-13-12(19)11(18)7(17)4-20-13/h1-3,7,11-13,16-19H,4H2/t7-,11+,12-,13+/m1/s1
分子结构式:
SDS:
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5-溴-4-氯-3-吲哚-β-D-吡喃木糖苷 物化性质

密度:
1.907g/cm3
沸点:
620.6ºC at 760 mmHg
闪点:
329.1°C
折射率:
1.746
蒸汽压:
2.92E-16mmHg at 25°C
存储条件/存储方法:

 

 

密闭于-20 ºC阴凉干燥环境中

 

稳定性相关:

 

遵照规定使用和储存则不会分解。

其它信息:

1.       性状:无可用

2.       密度(g/mL,25/4):无可用

3.       相对蒸汽密度(g/mL,空气=1):无可用

4.       熔点(ºC):无可用

5.       沸点(ºC,常压):无可用

6.       沸点(ºC,5.2kPa):无可用

7.       折射率:无可用

8.       闪点(ºC):无可用

9.       比旋光度(º):无可用

10.    自燃点或引燃温度(ºC):无可用

11.    蒸气压(kPa,25ºC):无可用

12.    饱和蒸气压(kPa,60ºC):无可用

13.    燃烧热(KJ/mol):无可用

14.    临界温度(ºC):无可用

15.    临界压力(KPa):无可用

16.    油水(辛醇/水)分配系数的对数值:无可用

17.    爆炸上限(%,V/V):无可用

18.    爆炸下限(%,V/V):无可用

19.    溶解性:无可用

5-溴-4-氯-3-吲哚-β-D-吡喃木糖苷 安全信息

安全说明:
S24/25

5-溴-4-氯-3-吲哚-β-D-吡喃木糖苷 毒理性

生态数据:

 

该物质对环境可能有危害,对水体应给予特别注意。

5-溴-4-氯-3-吲哚-β-D-吡喃木糖苷 MSDS

Name: 5-Bromo-4-chloro-3-indoxyl--D-xylopyranoside Material Safety Data Sheet
Synonym:
CAS: 207606-55-1
Section 1 - Chemical Product   MSDS Name:5-Bromo-4-chloro-3-indoxyl--D-xylopyranoside Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
207606-55-1 5-Bromo-4-chloro-3-indoxyl--D-xylopyr unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

Section 4 - FIRST AID MEASURES
  Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately.
Notes to Physician:
Treat symptomatically and supportively.

Section 5 - FIRE FIGHTING MEASURES
  General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

Section 7 - HANDLING and STORAGE
  Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a tightly closed container. Deep freeze (below -20C).

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 207606-55-1: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Solid
Color: colorless to white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: practically insoluble
Specific Gravity/Density:
Molecular Formula: C13H13BrClNO5
Molecular Weight: 378.61

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials, light.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong acids.
Hazardous Decomposition Products:
Hydrogen chloride, nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen bromide.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 207606-55-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
5-Bromo-4-chloro-3-indoxyl--D-xylopyranoside - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
 

Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
 
IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 207606-55-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 207606-55-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 207606-55-1 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

5-溴-4-氯-3-吲哚-β-D-吡喃木糖苷 分子结构与计算化学数据

分子结构数据

1摩尔折射率:无可用

2、   摩尔体积(cm3/mol):无可用       

3、   等张比容(90.2K):无可用

4、   表面张力(dyne/cm):无可用

5、   极化率:无可用

计算化学数据

1、   疏水参数计算参考值(XlogP):1.3

2、   氢键供体数量:4

3、   氢键受体数量:5

4、   可旋转化学键数量:2

5、   拓扑分子极性表面积(TPSA):94.9

6、   重原子数量:21

7、   表面电荷:0

8、   复杂度:379

9、   同位素原子数量:0

10、   确定原子立构中心数量:4

11、   不确定原子立构中心数量:0

12、   确定化学键立构中心数量:0

13、   不确定化学键立构中心数量:0

14、   共价键单元数量:1

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产品介绍:
产品名称:5-溴-4-氯-3-吲哚-Β-D-吡喃木糖苷 Cas号:207606-55-1 纯度:99% 包装信息:1g,5g,10g,50g,100g 价格:洽谈
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