b-D-Galactopyranoside,2-nitrophenyl 1-thio-

物化性质

外观与性状：

白色至淡黄色晶体粉末

密度：

1.63g/cm3

熔点：

196-203 °C

沸点：

572.1ºC at 760mmHg

闪点：

299.8ºC

折射率：

1.688

蒸汽压：

6.26E-14mmHg at 25°C

存储条件/存储方法：

密封储存，储存于阴凉、干燥的库房。常用惰性气体保护。冷藏温度为-20 ºC。避免阳光直射。

稳定性相关：

常温常压下稳定，对光敏感。吸收空气的的水分。避免与不相容材料，水，潮湿空气接触。

与强氧化剂反应。

其它信息：

1. 性状：黄色粉末

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）：196-203

5. 沸点（ºC,常压）：未确定

6. 沸点（ºC,12mmHg）：未确定

7. 折射率(n20/D)：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（kPa,55ºC）：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

安全信息

外观与性状：

白色至淡黄色晶体粉末

密度：

1.63g/cm3

熔点：

196-203 °C

沸点：

572.1ºC at 760mmHg

闪点：

299.8ºC

折射率：

1.688

蒸汽压：

6.26E-14mmHg at 25°C

存储条件/存储方法：

密封储存，储存于阴凉、干燥的库房。常用惰性气体保护。冷藏温度为-20 ºC。避免阳光直射。

稳定性相关：

常温常压下稳定，对光敏感。吸收空气的的水分。避免与不相容材料，水，潮湿空气接触。

与强氧化剂反应。

其它信息：

1. 性状：黄色粉末

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）：196-203

5. 沸点（ºC,常压）：未确定

6. 沸点（ºC,12mmHg）：未确定

7. 折射率(n20/D)：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（kPa,55ºC）：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

毒理性

生态数据：

对环境有危害，对水体有污染，禁止进入水体。

MSDS

Name:	o-Nitrophenyl-beta-D-thiogalactopyranoside Material Safety Data Sheet
Synonym:	o-Nitrophenyl 1-thio-beta-D-galactopyranosid
CAS:	1158-17-4

Section 1 - Chemical Product   MSDS Name:o-Nitrophenyl-beta-D-thiogalactopyranoside Material Safety Data Sheet
Synonym:o-Nitrophenyl 1-thio-beta-D-galactopyranosid
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
1158-17-4	2-Nitrophenyl-beta-D-thiogalactopyrano	ca. 100	214-593-0

Hazard Symbols: None Listed.
Risk Phrases: None Listed.
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.
Section 4 - FIRST AID MEASURES
  Eyes: Immediately 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. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or appropriate foam.
Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation.
Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Keep refrigerated. (Store below 4C/39F.)
Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 1158-17-4: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.
Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Powder
Color: yellow
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 201.00 - 202.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: > 202 deg C
Solubility in water: Not available.
Specific Gravity/Density: Not available.
Molecular Formula: C12H15NO7S
Molecular Weight: 317.30
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, oxides of sulfur, irritating and toxic fumes and gases, carbon dioxide, nitrogen.
Hazardous Polymerization: Has not been reported.
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 1158-17-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Nitrophenyl-beta-D-thiogalactopyranoside - 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# 1158-17-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 1158-17-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 1158-17-4 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据

分子结构数据

1、摩尔折射率：74.31

2、摩尔体积（cm³/mol）：194.6

3、等张比容（90.2K）：602.2

4、表面张力（dyne/cm）：91.5

5、介电常数：无可用的

6、极化率（10^-24cm³）：29.45

7、单一同位素质量：317.056922 Da

8、标称质量：317 Da

9、平均质量：317.315 Da

计算化学数据

1、 疏水参数计算参考值（XlogP）：0.1

2、 氢键供体数量：4

3、 氢键受体数量：7

4、 可旋转化学键数量：3

5、 互变异构体数量：7

6、 拓扑分子极性表面积（TPSA）：133

7、 重原子数量：21

8、 表面电荷：0

9、 复杂度：366

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