1H-Pyrazole-4-carboxaldehyde,3-phenyl-

物化性质

密度：

1.248g/cm3

熔点：

146-148ºC

沸点：

421.7ºC at 760mmHg

闪点：

210.3ºC

折射率：

1.646

蒸汽压：

2.55E-07mmHg at 25°C

存储条件/存储方法：

密闭于阴凉干燥环境中

稳定性相关：

遵照规定使用和储存则不会分解。

其它信息：

1. 性状：无可用

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）：146-148

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：

1.248g/cm3

熔点：

146-148ºC

沸点：

421.7ºC at 760mmHg

闪点：

210.3ºC

折射率：

1.646

蒸汽压：

2.55E-07mmHg at 25°C

存储条件/存储方法：

密闭于阴凉干燥环境中

稳定性相关：

遵照规定使用和储存则不会分解。

其它信息：

1. 性状：无可用

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）：146-148

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：

该物质对环境可能有危害，对水体应给予特别注意。

MSDS

Name:	3-Phenyl-1H-Pyrazole-4-Carboxaldehyde 98% (HPLC) Material Safety Data Sheet
Synonym:	4-Formyl-3-Phenylpyrazole
CAS:	26033-20-5

Section 1 - Chemical Product   MSDS Name:3-Phenyl-1H-Pyrazole-4-Carboxaldehyde 98% (HPLC) Material Safety Data Sheet
Synonym:4-Formyl-3-Phenylpyrazole
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
26033-20-5	3-Phenyl-1H-Pyrazole-4-Carboxaldehyde	98%	unlisted

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. No information found.
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: 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. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
Use agent most appropriate to extinguish fire. 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:
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. Use only in a well-ventilated area.
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.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
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# 26033-20-5: 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: 140 - 144 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: 25 MG/ML (100C)
Specific Gravity/Density:
Molecular Formula: C10H8N2O
Molecular Weight: 172.19
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 26033-20-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-Phenyl-1H-Pyrazole-4-Carboxaldehyde - 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# 26033-20-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 26033-20-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 26033-20-5 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：2933199090

概述：

2933199090. 其他结构上有非稠合吡唑环化合物. 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：

2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. 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：50.12

2、 摩尔体积（m³/mol）：137.9

3、 等张比容（90.2K）：379.4

4、 表面张力（dyne/cm）：57.2

5、 极化率（10^-24cm³）：19.86

计算化学数据

1.疏水参数计算参考值（XlogP）:1.3

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:2

5.互变异构体数量:4

6.拓扑分子极性表面积45.8

7.重原子数量:13

8.表面电荷:0

9.复杂度:178

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