3-(2-噻吩)吡唑

3-(2-噻吩)吡唑 基本信息
CAS号 19933-24-5 分子式 C7H6N2S
分子量 150.20100 精确质量  150.02500
PSA  56.92000 LogP  2.13820

基本信息 展开↓

CAS号:
19933-24-5
3D弹球模型:
立即前往扯扯看
分子式:
C7H6N2S
分子量:
150.20100
中文名称:
3-(2-噻吩)吡唑
英文名称:
5-thiophen-2-yl-1H-pyrazole
中文别名:
3-(2-噻吩)吡唑;
3-(2-噻吩基)吡唑;
5-(2-噻吩)-1H-吡唑
英文别名:
5-thiophen-2-yl-1H-pyrazole;
3-thiophen-2-yl-1h-pyrazole;
2-pyrazol-3-ylthiophene;
3-(2-THIENYL)PYRAZOLE
精确分子量/精确质量:
150.02500
极性分子表面积/PSA:
56.92000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
贝尔斯坦号/MDL:
MFCD00059740
InChI:
The Key: TVNDPZYOQCCHTJ-UHFFFAOYSA-N

物化性质展开↓

外观与性状:
淡绿色细松软的粉末
密度:
1.297g/cm3
熔点:
97-99 °C
沸点:
152 °C (1.6 mmHg)
闪点:
143.4ºC
折射率:
1.641
蒸汽压:
0.00139mmHg at 25°C
存储条件/存储方法:

在密封的贮藏器内,并放置阴凉,干燥的地方保存

稳定性相关:

如果按照规则使用和储存则不会分解

避免接触氧化物

其它信息:

1. 性状:未确定

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  ): 97-99

5. 沸点(ºC,常压):152 °C (1.6 mmHg)

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

安全信息展开↓

海关代码:
2934999090
危险类别码:
R36/37/38
安全说明:
S37/39-S24/25
安全标志:
S24/25:防止皮肤和眼睛接触。
:
危险标志:
Xi:Irritant;

合成路线查看所有的合成路线

  • 34772-98-0

    (E)-3-二甲基氨基-1-噻吩-2-丙酮

  • ~69%

  • 19933-24-5

    3-(2-噻吩)吡唑

  • 221235-30-9

    3-[1-oxo-1-(2-thienyl)-2-propen-3-ylamino]thieno[3,4-c]coumarin

  • 19933-24-5

    3-(2-噻吩)吡唑

  • +

  • 41078-15-3

    3-氨基-4H-噻吩并[3,4-c]色烯-4-酮

  • 88-15-3

    2-乙酰基噻吩

  • 19933-24-5

    3-(2-噻吩)吡唑

毒理性展开↓

生态数据:

对水是稍微危害的,若无政府许可,勿将材料排入周围环境

MSDS 展开↓

Name: 3-(2-Thienyl) Pyrazole 99+% Material Safety Data Sheet
Synonym:
CAS: 19933-24-5
Section 1 - Chemical Product   MSDS Name:3-(2-Thienyl) Pyrazole 99+% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
19933-24-5 3-(2-Thienyl) Pyrazole 99+ unlisted
Hazard Symbols: XN
Risk Phrases: 20/21/22

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
No information regarding eye irritation and other potential effects was found.
Skin:
No information regarding skin irritation and other potential effects was found.
Ingestion:
The toxicological properties of this substance have not been fully investigated.
Inhalation:
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 immediately.
Skin:
Get medical aid immediately. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
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 fog, dry chemical, carbon dioxide, or regular foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Use only in a well-ventilated area.
Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a cool, dry place. Keep containers tightly closed.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 19933-24-5: 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 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 green
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 152 deg C @ 1.60mmHg
Freezing/Melting Point: 97.00 - 98.00 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: C7H6N2S
Molecular Weight: 150.20

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Not available.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong bases.
Hazardous Decomposition Products:
Not available.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 19933-24-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-(2-Thienyl) Pyrazole - 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: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 19933-24-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 19933-24-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 19933-24-5 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2934999090

概述:
2934999090. 其他杂环化合物. 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
摘要/Summary:
2934999090. other heterocyclic compounds. 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展开↓

分子结构数据


五、分子性质数据:

1、   摩尔折射率:41.75

2、   摩尔体积(m3/mol)115.7

3、   等张比容(90.2K)317.5

4、   表面张力(dyne/cm)56.6

5、   极化率(10-24cm3)16.55

计算化学数据


1.疏水参数计算参考值(XlogP):1.6

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:2

6.拓扑分子极性表面积56.9

7.重原子数量:10

8.表面电荷:0

9.复杂度:118

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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