4’-异丙基乙酰苯胺

4’-异丙基乙酰苯胺 基本信息
CAS号 5702-74-9 分子式 C11H15NO
分子量 177.24300 精确质量  177.11500
PSA  29.10000 LogP  2.84140

基本信息 展开↓

CAS号:
5702-74-9
3D弹球模型:
立即前往扯扯看
分子式:
C11H15NO
分子量:
177.24300
中文名称:
4’-异丙基乙酰苯胺
英文名称:
4-ISOPROPYLACETANILIDE
中文别名:
4’-异丙基乙酰苯胺;
4-异丙基乙酰苯胺;
N-(4-异丙基苯)-乙酰胺
英文别名:
4-ISOPROPYLACETANILIDE;
N1-(4-ISOPROPYLPHENYL)ACETAMIDE;
4-acetaminoisopropylbenzene;
1-(acetylamino)-4-(1-methylethyl)benzene;
N-(4-ISOPROPYL-PHENYL)-ACETAMIDE;
p-isopropylacetanilide
精确分子量/精确质量:
177.11500
极性分子表面积/PSA:
29.10000
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:
MFCD00026406
InChI:
The Key: BQZWLSZGPBNHDA-UHFFFAOYSA-N

物化性质展开↓

密度:
1.026g/cm3
熔点:
101ºC
沸点:
323.7ºC at 760mmHg
闪点:
191.1ºC
折射率:
1.552
存储条件/存储方法:

 常温,避光,阴凉干燥处,密封保存

稳定性相关:

常温常压下稳定

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):101-103

5.       沸点(ºC,常压):未确定

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↓

危险类别码:
R22
安全说明:
22-36/37/39
安全标志:
S22:不要吸入粉尘。
:
危险标志:
Xn:Harmful;

合成路线查看所有的合成路线

  • 99-88-7

    对异丙基苯胺

  • +

  • 108-24-7

    乙酸酐

  • ~93%

  • 5702-74-9

    4’-异丙基乙酰苯胺

  • 1817-47-6

    对硝基异丙基苯

  • +

  • 10387-40-3

    硫代乙酸钾

  • ~88%

  • 5702-74-9

    4’-异丙基乙酰苯胺

  • 99-88-7

    对异丙基苯胺

  • +

  • 123-54-6

    乙酰丙酮

  • ~85%

  • 5702-74-9

    4’-异丙基乙酰苯胺

化学图谱

  1. 4-异丙氧基乙酰苯胺红外图谱(IR1)

  2. 4-异丙氧基乙酰苯胺红外图谱(IR2)

上一页 1/4 下一页

毒理性展开↓

生态数据:

通常对水是不危害的,若无政府许可,勿将材料排入周围环境.

MSDS 展开↓

Name: N1-(4-isopropylphenyl)acetamide 97% Material Safety Data Sheet
Synonym: 4-Isopropylacetanilid
CAS: 5702-74-9
Section 1 - Chemical Product   MSDS Name:N1-(4-isopropylphenyl)acetamide 97% Material Safety Data Sheet
Synonym:4-Isopropylacetanilid

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
5702-74-9 N1-(4-Isopropylphenyl)acetamide 97% unlisted
Hazard Symbols: XN
Risk Phrases: 22

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Harmful if swallowed.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
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:
Use water spray, dry chemical, carbon dioxide, or chemical 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.

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# 5702-74-9: 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: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 101 - 103 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: C11H15NO
Molecular Weight: 177

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Acids, strong oxidizing agents, acid chlorides.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 5702-74-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
N1-(4-Isopropylphenyl)acetamide - 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
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 22 Harmful if swallowed.
Safety Phrases:
S 36/37 Wear suitable protective clothing and
gloves.
WGK (Water Danger/Protection)
CAS# 5702-74-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 5702-74-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 5702-74-9 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据展开↓

分子结构数据


1   摩尔折射率:54.70

2   摩尔体积m3/mol172.5

3   等张比容(90.2K):426.0

4   表面张力dyne/cm37.1

5   极化率10-24cm321.68

计算化学数据


1、   疏水参数计算参考值(XlogP):2.5

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:4

5、   互变异构体数量:2

6、   拓扑分子极性表面积(TPSA):64.4

7、   重原子数量:21

8、   表面电荷:0

9、   复杂度:357

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:1

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

上下游相关产品

上游产品

更多
  • 99-88-7

    对异丙基苯胺

  • 108-24-7

    乙酸酐

  • 1817-47-6

    对硝基异丙基苯

  • 10387-40-3

    硫代乙酸钾

  • 507-09-5

    硫代乙酸

下游产品

更多
  • 51605-97-1

    2-溴-4-异丙基苯胺

  • 63649-64-9

    4-异丙基-2-硝基苯胺

  • 5433-01-2

    1-溴-3-异丙基苯

  • 104-04-1

    对硝基乙酰苯胺

  • 68701-22-4

    5-异丙基邻氨基苯甲酸

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便