a-D-Glucopyranoside, 4-nitrophenyl2-(acetylamino)-2-deoxy-
- 中文别名：4-硝基苯-N-乙酰基-α-D-氨基葡糖苷
- 中文释义：4-硝基苯-N-乙酰基-Alpha-D-氨基葡糖苷;对硝基苯基-N-乙酰-Α-D-氨基葡糖苷;4-硝基苯-N-乙酰基-α-D-氨基葡糖苷;对硝基苯-N-乙酰-Alpha-D-氨基葡萄糖苷
- 英文别名：P-NITROPHENYL 2-ACETAMIDO-2-DEOXY-α-D-GLUCOPYRANOSIDE;
p-nitrophenyllacto-N-biose;
p-Nitrophenyl 2-Acetamido-2-deoxy-Alpha-D-glucopyranoside;
p-Nitrophenyl 2-acetamido-2-deoxy-1-thio-|A-D-glucopyranoside;
4-Nitrophenyl N-acetyl-1-thio-|A-D-glucosaminide
- CAS No.：10139-02-3
- 分子式：C14H18N2O8
- 分子量：342.30
- 精确分子量：342.10600
- PSA：154.07000
- MDL：MFCD00006592
- InChI：InChI=1/C14H18N2O8/c1-7(18)15-11-13(20)12(19)10(6-17)24-14(11)23-9-4-2-8(3-5-9)16(21)22/h2-5,10-14,17,19-20H,6H2,1H3,(H,15,18)/t10-,11-,12-,13-,14+/m1/s1
- 分子结构式：
物化性质
- 密度：
- 1.51g/cm3
- 熔点：
- 264ºC
- 沸点：
- 694.7ºC at 760mmHg
- 闪点：
- 374ºC
- 折射率：
- 1.619
- 蒸汽压：
- 2.91E-20mmHg at 25°C
- 存储条件/存储方法：
存放于密闭容器中。存放于干燥地区。冰冻（ -20 ℃以下）
- 稳定性相关：
稳定在正常温度和压力。
- 其它信息：
1. 性状：白色粉末状晶体。
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）：264
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。
安全信息
- 密度：
- 1.51g/cm3
- 熔点：
- 264ºC
- 沸点：
- 694.7ºC at 760mmHg
- 闪点：
- 374ºC
- 折射率：
- 1.619
- 蒸汽压：
- 2.91E-20mmHg at 25°C
- 存储条件/存储方法：
存放于密闭容器中。存放于干燥地区。冰冻（ -20 ℃以下）
- 稳定性相关：
稳定在正常温度和压力。
- 其它信息：
1. 性状：白色粉末状晶体。
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）：264
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。
毒理性
- 生态数据：
通常对水是不危害的，若无政府许可，勿将材料排入周围环境。
MSDS
| Name: | 4-Nitrophenyl-2-acetamido-2-deoxy-alpha-d- glucopyranoside 99% Material Safety Data Sheet |
| Synonym: | None |
| CAS: | 10139-02-3 |
Section 1 - Chemical Product MSDS Name:4-Nitrophenyl-2-acetamido-2-deoxy-alpha-d- glucopyranoside 99% Material Safety Data Sheet
Synonym:None
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
| CAS# | Chemical Name | content | EINECS# |
| 10139-02-3 | 4-Nitrophenyl-2-acetamido-2-deoxy-alph | 99.0 | 233-392-9 |
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:
The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation.
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:
Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Wash mouth out with 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 if cough or other symptoms appear.
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.
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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.
Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation.
Storage:
Store in a cool, dry, well-ventilated area away from incompatible substances. Deep freeze (below -20C). Keep containers tightly closed.
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# 10139-02-3: 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:
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: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 264 deg C dec
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C14H18N2O8
Molecular Weight: 342.29
Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stability unknown.
Conditions to Avoid:
Incompatible materials, light.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: Has not been reported.
Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 10139-02-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Nitrophenyl-2-acetamido-2-deoxy-alpha-D-glucopyranoside, 9 - 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# 10139-02-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 10139-02-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 10139-02-3 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
五、分子性质数据：
1、 摩尔折射率：79.52
2、 摩尔体积（cm3/mol）：226.4
3、 等张比容（90.2K）：666.6
4、 表面张力（dyne/cm）：75.1
5、 极化率（10-24cm3）：31.52
计算化学数据
1、 疏水参数计算参考值（XlogP）：0
2、 氢键供体数量：4
3、 氢键受体数量：8
4、 可旋转化学键数量：4
5、 拓扑分子极性表面积（TPSA）：151
6、 重原子数量：24
7、 表面电荷：0
8、 复杂度：449
9、 同位素原子数量：0
10、 确定原子立构中心数量：5
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
