N-对甲苯磺酰基-3-吡咯甲酸

  • 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

N-对甲苯磺酰基-3-吡咯甲酸 基本信息

中文名称:
N-对甲苯磺酰基-3-吡咯甲酸 
中文别名:
N-对甲苯磺酰-3-吡咯甲酸;
N-对甲苯磺酰基-3-吡咯甲酸 
英文名称:
1H-Pyrrole-3-carboxylicacid, 1-[(4-methylphenyl)sulfonyl]-
英文别名:
N-Tosyl-3-pyrrolecarboxylic Acid;
1-Tosyl-1H-pyrrole-3-carboxylic acid;
N-Tosyl-pyrrole-3-carboxylic acid;
1-(4-methylphenyl)sulfonylpyrrole-3-carboxylic acid 
CAS No.:
106058-86-0
分 子 式:
C12H11NO4S
分 子 量:
265.28
精确分子量:
265.04100
PSA:
84.75000
MDL:
MFCD00145013
InChI:
InChI=1/C12H11NO4S/c1-9-2-4-11(5-3-9)18(16,17)13-7-6-10(8-13)12(14)15/h2-8H,1H3,(H,14,15)/p-1
安全术语:
S24/25
分子结构式:
SDS:
查看

N-对甲苯磺酰基-3-吡咯甲酸 物化性质

外观与性状:
棕色固体
密度:
1.37 g/cm3
熔点:
202-206 °C
沸点:
501.8ºC at 760 mmHg
闪点:
257.3ºC
蒸汽压:
6.86E-11mmHg 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):202-206

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

N-对甲苯磺酰基-3-吡咯甲酸 安全信息

海关代码:
2933990090
安全说明:
S24/25
安全标志:
S24/25:防止皮肤和眼睛接触。

N-对甲苯磺酰基-3-吡咯甲酸 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。

N-对甲苯磺酰基-3-吡咯甲酸 MSDS

Name: n-Tosyl-3-pyrrolecarboxylic acid 96% Material Safety Data Sheet
Synonym:
CAS: 106058-86-0
Section 1 - Chemical Product   MSDS Name:n-Tosyl-3-pyrrolecarboxylic acid 96% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
106058-86-0 N-Tosyl-3-pyrrolecarboxylic acid, 96% 96% 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:
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:
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:
Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Get medical aid.
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 if cough or other symptoms appear.
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 spray, dry chemical, 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. Use only in a chemical fume hood.
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.
Exposure Limits CAS# 106058-86-0: Personal Protective Equipment Eyes: Wear chemical splash goggles.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear a chemical apron.
Respirators:
A NIOSH/MSHA approved air purifying dust or mist respirator or European Standard EN 149.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Solid
Color: brown
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 199 - 202 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: C11H9NO4
Molecular Weight: 265.29

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Not available.
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# 106058-86-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
N-Tosyl-3-pyrrolecarboxylic acid, 96% - 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# 106058-86-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 106058-86-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 106058-86-0 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

N-对甲苯磺酰基-3-吡咯甲酸 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%

N-对甲苯磺酰基-3-吡咯甲酸 分子结构与计算化学数据

分子结构数据

1、   摩尔折射率:67.97

2、   摩尔体积(m3/mol):193.5

3、   等张比容(90.2K):527.1

4、   表面张力(dyne/cm):54.9

5、   极化率10-24cm3):26.94

计算化学数据

1.疏水参数计算参考值(XlogP):1.8

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:3

5.互变异构体数量:无

6.拓扑分子极性表面积84.8

7.重原子数量:18

8.表面电荷:0

9.复杂度:406

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

N-对甲苯磺酰基-3-吡咯甲酸 上游产品

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