4-hydroxy-6-mercaptopyrazolo[3,4-d]pyrimidine
- 中文别名：4-羟基-6-巯基吡唑(3,4-D)嘧啶
- 中文释义：4-羟基-6-巯基吡唑(3,4-D)嘧啶;4-羟基-6-巯基吡唑并[3,4-D]嘧啶
- 英文别名：6-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one;
6-Thioxo-1,5,6,7-tetrahydro-pyrazolo[3,4-d]pyrimidin-4-on;
6-thioxo-1(2),5,6,7-tetrahydro-pyrazolo[3,4-d]pyrimidin-4-one;
F2135-0106;
4-Hydroxy-6-mercapto-1H-pyrazolo[3,4-d]pyrimidine;
1,5,6,7-Tetrahydro-6-thioxo-4H-pyrazolo[3,4-d]pyrimidin-4-one;
6-thioxo-1,5,6,7-tetrahydropyrazolo<3,4-d>pyrimidin-4-one;
4-Hydroxy-6-mercaptopyrazolo[3,4-d]pyrimidine;
6-Mercapto-4-hydroxy-1H-pyrazolo[3,4-d]pyrimidine;
6-mercapto-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one;
4-HYDROXY-6-MERCAPTOPYRAZOLO-3,4-D)-PYRIMIDINE
- CAS No.：24521-76-4
- 分子式：
C5H4N4OS
- 分子量：168.18
- 精确分子量：168.01100
- PSA：113.49000
- MDL：MFCD00022782
- InChI：The Key: SXRSXYWROQWSGJ-UHFFFAOYSA-N
- 分子结构式：
物化性质
- 密度：
- 2.08g/cm3
- 熔点：
- >310°C
- 沸点：
- 334.3ºC at 760mmHg
- 闪点：
- 156ºC
- 折射率：
- 2.019
- 蒸汽压：
- 6.66E-05mmHg at 25°C
- 存储条件/存储方法：
保持贮藏器密封
放入紧密的贮藏器内，储存在阴凉，干燥的地方
- 稳定性相关：
如果遵照规格使用和储存则不会分解
避免接触氧化物- 其它信息：
1. 性状：奶油色或白色粉末
2. 密度（g/mL,25/4℃）：未确定
3. 相对蒸汽密度（g/mL,空气=1）：未确定
4. 熔点（ºC）：>310
5. 沸点（ºC,常压）：未确定
6. 沸点（ºC,5.2kPa）：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（kpa,20ºC）：未确定
12. 饱和蒸气压（kPa,60ºC）：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
- 密度：
- 2.08g/cm3
- 熔点：
- >310°C
- 沸点：
- 334.3ºC at 760mmHg
- 闪点：
- 156ºC
- 折射率：
- 2.019
- 蒸汽压：
- 6.66E-05mmHg at 25°C
- 存储条件/存储方法：
保持贮藏器密封
放入紧密的贮藏器内，储存在阴凉，干燥的地方
- 稳定性相关：
如果遵照规格使用和储存则不会分解
避免接触氧化物- 其它信息：
1. 性状：奶油色或白色粉末
2. 密度（g/mL,25/4℃）：未确定
3. 相对蒸汽密度（g/mL,空气=1）：未确定
4. 熔点（ºC）：>310
5. 沸点（ºC,常压）：未确定
6. 沸点（ºC,5.2kPa）：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（kpa,20ºC）：未确定
12. 饱和蒸气压（kPa,60ºC）：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
- 毒理学数据：
在皮肤上：
可能引发炎症。
在眼睛上：
可能引发炎症。
- 生态数据：
通常来说对水是不危害的，若无政府许可，勿将材料排入周围环境。
MSDS
| Name: | 4-Hydroxy-6-mercaptopyrazolo[3 4-d]pyrimidine Material Safety Data Sheet |
| Synonym: | |
| CAS: | 24521-76-4 |
Section 1 - Chemical Product MSDS Name:4-Hydroxy-6-mercaptopyrazolo[3 4-d]pyrimidine Material Safety Data Sheet
Synonym:
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
| CAS# | Chemical Name | content | EINECS# |
| 24521-76-4 | 4-Hydroxy-6-mercaptopyrazolo[3,4-d]pyr | | 246-296-7 |
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 cool, dry place. Store in a tightly closed container.
Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 24521-76-4: 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: Not available.
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:
Specific Gravity/Density:
Molecular Formula: C5H4N4OS
Molecular Weight: 168.18
Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported
Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 24521-76-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Hydroxy-6-mercaptopyrazolo[3,4-d]pyrimidine - 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# 24521-76-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 24521-76-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 24521-76-4 is not listed on the TSCA inventory.
It is for research and development use only.
SECTION 16 - ADDITIONAL INFORMATION
N/A
海关数据
中国海关编码：2933990090
- 概述：
- 2933990090. 其他仅含氮杂原子的杂环化合物. 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, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
- 摘要/Summary：
- 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
分子结构与计算化学数据
分子结构数据
1、 摩尔折射率：42.85
2、 摩尔体积（m3/mol）：92.5
3、 等张比容（90.2K）：316.6
4、 表面张力（dyne/cm）：136.8
5、 极化率（10-24cm3）：16.99
计算化学数据
1.疏水参数计算参考值（XlogP）:-0.3
2.氢键供体数量:3
3.氢键受体数量:3
4.可旋转化学键数量:0
5.互变异构体数量:25
6.拓扑分子极性表面积97.6
7.重原子数量:11
8.表面电荷:0
9.复杂度:306
10.同位素原子数量:0
11.确定原子立构中心数量:0
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
