4-氯吡啶-3-磺酰胺

4-氯吡啶-3-磺酰胺 基本信息
CAS号 33263-43-3 分子式 C5H5ClN2O2S
分子量 192.62300 精确质量  191.97600
PSA  81.43000 LogP  2.16350

基本信息 展开↓

CAS号:
33263-43-3
3D弹球模型:
立即前往扯扯看
分子式:
C5H5ClN2O2S
分子量:
192.62300
中文名称:
4-氯吡啶-3-磺酰胺
英文名称:
4-Chloro-3-pyridinesulfonamide
中文别名:
4-氯吡啶-3-磺酰胺;
4-氯-3-吡啶磺胺;
4-氯-3-氨-2-甲磺酰吡啶
英文别名:
4-Chloro-3-pyridinesulfonamide;
4-chloropyridin-3-yl-sulfonamide;
4-Chloropyridine-sulphonamide;
4-Chloro-3-Sulfamoylpyridine;
4-CHLOROPYRIDINE-3-SULFONAMIDE;
4-Chloropyridine-3-sulfonamide;
4-CHLORO-3-PYRIDINESULFAMIDE;
4-chloro-pyridine-3-sulfonic acid amide;
4-Choropyridine;
4-Chloropyridine-3-Sulfamide;
3-PYRIDINE-4-CHLOROSULFONAMIDE;
4-Chloropyridin-3-sulfonamide;
4-CHOROPYRIDINE-3-SULPHONAMIDE;
4-chloro-pyridine-3-sulphonamide
精确分子量/精确质量:
191.97600
极性分子表面积/PSA:
81.43000
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:
MFCD04038136
EINECS:
251-434-4
InChI:
InChI=1/C5H5ClN2O2S/c6-4-1-2-8-3-5(4)11(7,9)10/h1-3H,(H2,7,9,10)

生产制备方法及用途展开↓

制备方法


用于合成利尿药物托拉塞米。

用途简介


用途


1、   用于合成利尿药物托拉塞米(Torasemide)

物化性质展开↓

外观与性状:
灰白色至淡米色粉末
密度:
1.558g/cm3
熔点:
150-155 °C
沸点:
380.4ºC at 760mmHg
闪点:
183.9ºC
水溶解性:
soluble
折射率:
1.592
存储条件/存储方法:

保持贮藏器密封、储存在阴凉、干燥的地方,确保工作间有良好的通风或排气装置

稳定性相关:

如果遵照规格使用和储存则不会分解,未有已知危险反应

避免氧化物

其它信息:

1.         性状:无色至浅黄色结晶体粉末

2.         密度(g/mL,20):未确定

3.         相对蒸汽密度(g/mL,空气=1):未确定

4.         熔点(ºC):150-154

5.         沸点(ºC,常压):未确定

6.         沸点(ºC,KPa):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(Pa,20ºC):未确定

12.      饱和蒸气压(KPa,20ºC):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:0

17.      爆炸上限(%,V/V):未确定

18.      爆炸下限(%,V/V):未确定

19.     溶解性:可溶于水

安全信息展开↓

包装等级:
III
海关代码:
2935009090
危险类别码:
R22;R36/37/38
安全说明:
S36/37
安全标志:
:
危险标志:
Xn:Harmful;

合成路线查看所有的合成路线

  • 626-64-2

    4-羟基吡啶

  • 33263-43-3

    4-氯吡啶-3-磺酰胺

  • 51498-37-4

    4-羟基吡啶-3-磺酸

  • 33263-43-3

    4-氯吡啶-3-磺酰胺

  • 33263-44-4

    4-氯-3-吡啶磺酰氯

  • 33263-43-3

    4-氯吡啶-3-磺酰胺

毒理性展开↓

生态数据:

通常对水是稍微有危害的,若无政府许可,勿将材料排入周围环境。

MSDS 展开↓

Name: 4-Chloro-3-pyridinesulfonamide Material Safety Data Sheet
Synonym:
CAS: 33263-43-3
Section 1 - Chemical Product   MSDS Name:4-Chloro-3-pyridinesulfonamide Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
33263-43-3 4-Chloro-3-pyridinesulfonamide 251-434-4
Hazard Symbols: XN
Risk Phrases: 20/21/22

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. May cause respiratory tract irritation.
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. 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.
Extinguishing Media:
DO NOT USE WATER! Use dry powder or carbon dioxide.

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# 33263-43-3: 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: Powder
Color: off-white
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: Soluble.
Specific Gravity/Density:
Molecular Formula: C5H5ClN2O2S
Molecular Weight: 192.5602

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials, excess heat.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Hydrogen cyanide, carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 33263-43-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Chloro-3-pyridinesulfonamide - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
  Other No information available.

Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
 
IATA
No information available.
IMO
No information available.
RID/ADR
No information available.

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 36/37 Wear suitable protective clothing and
gloves.
WGK (Water Danger/Protection)
CAS# 33263-43-3: 1
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 33263-43-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 33263-43-3 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:2935009090

概述:
2935009090 其他磺(酰)胺. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:35.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0%

分子结构与计算化学数据展开↓

计算化学数据


1.疏水参数计算参考值(XlogP):0

2.氢键供体数量:1

3.氢键受体数量:4

4.可旋转化学键数量:1

5.互变异构体数量:无

6.拓扑分子极性表面积81.4

7.重原子数量:11

8.表面电荷:0

9.复杂度:223

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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