4-二丙氨磺酰苄氧基氯

4-二丙氨磺酰苄氧基氯 基本信息
CAS号 29171-72-0 分子式 C13H18ClNO3S
分子量 303.80500 精确质量  303.07000
PSA  62.83000 LogP  3.95710

基本信息 展开↓

CAS号:
29171-72-0
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分子式:
C13H18ClNO3S
分子量:
303.80500
中文名称:
4-二丙氨磺酰苄氧基氯
英文名称:
4-(dipropylsulfamoyl)benzoyl chloride
中文别名:
4-二丙氨磺酰苄氧基氯;
4-二正丙氨磺酰苄氧基氯;
4-[(二丙基氨基)磺酸]苯-1-碳酰氯
英文别名:
4-(dipropylsulfamoyl)benzoyl chloride;
p-(dipropylsulfamoyl)benzoyl chloride;
p-(Dipropylsulfamoyl)-benzoylchlorid;
4-(di-n-propylsulfamoyl) benzoyl chloride;
4--(dipropylsulfamoyl)benzoyl chloride;
4-(N-dipropylsulfamoyl)benzoyl chloride;
4-[(Dipropylamino)Sulfonyl]Benzene-1-Carbonyl Chloride
精确分子量/精确质量:
303.07000
极性分子表面积/PSA:
62.83000
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:
MFCD00121817
InChI:
The Key: LCQXGFTXKWEWQC-UHFFFAOYSA-N

物化性质展开↓

密度:
1.227g/cm3
熔点:
62-63ºC
沸点:
411.3ºC at 760 mmHg
闪点:
202.5ºC
折射率:
1.533
蒸汽压:
5.66E-07mmHg at 25°C
存储条件/存储方法:

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:粉末

2.         密度(g/mL,25):未确定

3.         相对蒸汽密度(g/mL,空气=1):未确定

4.         熔点(ºC):59-60

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,25ºC):未确定

12.      饱和蒸气压(KPa,25ºC):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↓

包装等级:
III
海关代码:
2935009090

合成路线查看所有的合成路线

  • 142-84-7

    二正丙胺

  • 29171-72-0

    4-二丙氨磺酰苄氧基氯

  • 10130-89-9

    4-(氯磺酰)苯甲酸

  • 29171-72-0

    4-二丙氨磺酰苄氧基氯

  • 57-66-9

    丙磺舒

  • +

  • 68-12-2

    N,N-二甲基甲酰胺

  • 29171-72-0

    4-二丙氨磺酰苄氧基氯

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-[(Dipropylamino)sulfonyl]benzene-1-carbonyl chloride Material Safety Data Sheet
Synonym:
CAS: 29171-72-0
Section 1 - Chemical Product   MSDS Name:4-[(Dipropylamino)sulfonyl]benzene-1-carbonyl chloride Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
29171-72-0 4-[(Dipropylamino)sulfonyl]benzene-1-c unlisted
Hazard Symbols: C
Risk Phrases: 34

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Causes burns.Moisture sensitive.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
Not available.

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 immediately.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do not induce vomiting. Get medical aid immediately. Wash mouth out with water.
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:
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.
Extinguishing Media:
Use foam, 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:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Keep refrigerated. (Store below 4C/39F.) Store in a tightly closed container. Store in a dry area. Store under nitrogen.

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# 29171-72-0: 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: Solid
Color: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 62 - 63 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: C13H18ClNO3S
Molecular Weight: 304

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials, exposure to moist air or water.
Incompatibilities with Other Materials:
Strong oxidizing agents, alcohols, amines.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide, acrid smoke and fumes.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 29171-72-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-[(Dipropylamino)sulfonyl]benzene-1-carbonylchloride - 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: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.*
Hazard Class: 8
UN Number: 3261
Packing Group: III
IMO
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3261
Packing group: III

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
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.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 29171-72-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 29171-72-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 29171-72-0 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):无

2.氢键供体数量:0

3.氢键受体数量:4

4.可旋转化学键数量:7

5.互变异构体数量:无

6.拓扑分子极性表面积62.8

7.重原子数量:19

8.表面电荷:0

9.复杂度:377

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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  • 57-66-9

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  • 10130-89-9

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