4-羟基-6-巯基吡唑(3,4-D)嘧啶

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 上游产品
  • 下游产品

4-羟基-6-巯基吡唑(3,4-D)嘧啶 基本信息

中文名称:
4-羟基-6-巯基吡唑(3,4-D)嘧啶 
中文别名:
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 
英文名称:
4-hydroxy-6-mercaptopyrazolo[3,4-d]pyrimidine
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
EINECS:
246-296-7
BRN:
140413
InChI:
The Key: SXRSXYWROQWSGJ-UHFFFAOYSA-N
危险品标志:

 

风险术语:

 

安全术语:

S22;S24/25

分子结构式:
SDS:
查看

4-羟基-6-巯基吡唑(3,4-D)嘧啶 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

4-羟基-6-巯基吡唑(3,4-D)嘧啶 安全信息

海关代码:
2933990090
安全说明:
S24/25

4-羟基-6-巯基吡唑(3,4-D)嘧啶 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。

4-羟基-6-巯基吡唑(3,4-D)嘧啶 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

4-羟基-6-巯基吡唑(3,4-D)嘧啶 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%

4-羟基-6-巯基吡唑(3,4-D)嘧啶 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/mol92.5

3   等张比容(90.2K):316.6

4   表面张力dyne/cm136.8

5   极化率10-24cm316.99

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

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