4-羟基-1-苯基吡唑并[3,4-D]嘧啶

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

4-羟基-1-苯基吡唑并[3,4-D]嘧啶 基本信息

中文名称:
4-羟基-1-苯基吡唑并[3,4-D]嘧啶 
中文别名:
4-羟基-1-苯基吡唑并[3,4-D]嘧啶;
4-羟基-1-苯基吡唑[3,4-d]嘧啶 
英文名称:
4H-Pyrazolo[3,4-d]pyrimidin-4-one,1,5-dihydro-1-phenyl-
英文别名:
1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one;
F1386-0037;
4-HYDROXY-1-PHENYLPYRAZOLO(3,4-D)PYRIMIDINE 
CAS No.:
21314-17-0
分 子 式:

C11H8N4O

分 子 量:
212.21
精确分子量:
212.07000
PSA:
63.83000
MDL:
MFCD00082637
EINECS:
244-331-0
BRN:
198880
InChI:
The Key: GDZQGHGCKKWNAC-UHFFFAOYSA-N
危险品标志:

 

风险术语:

R36/37/38

安全术语:

S26;S36

分子结构式:
SDS:
查看

4-羟基-1-苯基吡唑并[3,4-D]嘧啶 物化性质

密度:
1.45g/cm3
熔点:
304-307 °C
沸点:
472.508ºC at 760 mmHg
闪点:
239.565ºC
折射率:
1.749
蒸汽压:
0mmHg 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:白色晶体状粉末

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):304-307

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,25ºC): 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-1-苯基吡唑并[3,4-D]嘧啶 安全信息

海关代码:
2933990090
危险类别码:
R36/37/38
安全说明:
S36/37/39-S26
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
:
危险标志:
Xn

4-羟基-1-苯基吡唑并[3,4-D]嘧啶 MSDS

Name: 4-Hydroxy-1-phenylpyrazole[3 4-d]pyrimidine 98% Material Safety Data Sheet
Synonym: None Known
CAS: 21314-17-0
Section 1 - Chemical Product   MSDS Name:4-Hydroxy-1-phenylpyrazole[3 4-d]pyrimidine 98% Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
21314-17-0 4-Hydroxy-1-phenylpyrazole[3,4-d]pyrim 98% 244-331-0
Hazard Symbols: XN
Risk Phrases: 22 36/37/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Harmful if swallowed. Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
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.
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. 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.
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. 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 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:
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. Wash clothing before reuse.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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# 21314-17-0: 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: Powder
Color: light yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 304 - 307 deg C
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: C11H8N4O
Molecular Weight: 212.21

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 21314-17-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Hydroxy-1-phenylpyrazole[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
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: III

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 22 Harmful if swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 21314-17-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 21314-17-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 21314-17-0 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

4-羟基-1-苯基吡唑并[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-1-苯基吡唑并[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:59.56

2、   摩尔体积(m3/mol)146.3

3、   等张比容(90.2K)413.7

4、   表面张力(dyne/cm)63.8

5、   极化率(10-24cm3)23.61

计算化学数据

1.疏水参数计算参考值(XlogP):1.1

2.氢键供体数量:1

3.氢键受体数量:2

4.可旋转化学键数量:1

5.互变异构体数量:5

6.拓扑分子极性表面积57.1

7.重原子数量:16

8.表面电荷:0

9.复杂度:404

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

4-羟基-1-苯基吡唑并[3,4-D]嘧啶 表征图谱

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产品名称:4-羟基-1-苯基吡唑并[3,4-D]嘧啶 Cas号:21314-17-0 纯度:99% 包装信息:100kg 价格:100.0元
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产品名称:4-羟基-1-苯基吡唑并[3,4-D]嘧啶 Cas号:21314-17-0 纯度:98%-99% 包装信息:2kg 价格:洽谈
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