4-环己苯胺

4-环己苯胺 基本信息
CAS号 6373-50-8 分子式 C12H17N
分子量 175.27000 精确质量  175.13600
PSA  26.02000 LogP  3.89770

基本信息 展开↓

CAS号:
6373-50-8
3D弹球模型:
立即前往扯扯看
分子式:
C12H17N
分子量:
175.27000
中文名称:
4-环己苯胺
英文名称:
4-Cyclohexylaniline
中文别名:
4-环己苯胺;
4-环己基苯胺
英文别名:
4-Cyclohexylaniline;
4-CYCLOHEXYLANILINE
精确分子量/精确质量:
175.13600
极性分子表面积/PSA:
26.02000
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。
EINECS:
228-918-9
InChI:
InChI=1/C16H12Cl2N4OS/c1-9-2-4-10(5-3-9)14-21-22-16(24-14)20-15(23)19-13-7-6-11(17)8-12(13)18/h2-8H,1H3,(H2,19,20,22,23)

物化性质展开↓

密度:
1.509g/cm3
熔点:
53 °C
沸点:
166 °C
闪点:
110°C
折射率:
1.716
存储条件/存储方法:

 避光,阴凉干燥处,密封保存

稳定性相关:

常温常压下稳定,棕色固体

其它信息:

1.      性状:棕色固体

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):53-56

5.      沸点(ºC,常压):未确定

6.      沸点(ºC13mmHg):166

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(20ºC):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↓

包装等级:
III
风险类别:
6.1
海关代码:
2921420090
危险类别码:
R20/21/22
安全说明:
S26-S37/39

合成路线查看所有的合成路线

  • 74497-02-2

    1-aminobenzene

  • ~8%

  • 4806-81-9

    Benzenamine, 2-cyclohexyl-

  • +

  • 6373-50-8

    4-环己苯胺

  • 64-17-5

    乙醇

  • +

  • 1747-75-7

    4-(1-环己烯基)苯胺

  • 6373-50-8

    4-环己苯胺

  • 142-04-1

    盐酸苯胺

  • +

  • 74497-02-2

    1-aminobenzene

  • +

  • 110-83-8

    环己烯

  • 1821-36-9

    N-环己基苯胺

  • +

  • 4806-81-9

    Benzenamine, 2-cyclohexyl-

毒理性展开↓

毒理学数据:

主要的刺激性影响:

在皮肤上面:可能引起发炎

在眼睛上面:可能引起发炎

致敏作用:没有已知的敏化现象

生态数据:

对水少是稍微危害的,不要让未稀释或大量的产品接触地下水、水道或污水系统

若无政府许可,勿将材料排入周围环境.

MSDS 展开↓

Name: 4-Cyclohexylaniline 97% Material Safety Data Sheet
Synonym: None
CAS: 6373-50-8
Section 1 - Chemical Product   MSDS Name:4-Cyclohexylaniline 97% Material Safety Data Sheet
Synonym:None

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
6373-50-8 4-Cyclohexylaniline, 97% 97% 228-918-9
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:
Causes eye irritation.
Skin:
Causes skin irritation.
Ingestion:
Causes gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated. Overexposure may cause methemoglobinemia.
Inhalation:
Causes respiratory tract irritation. 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.
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:
Do not induce vomiting. 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.
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. Clean up spills immediately, observing precautions in the Protective Equipment section.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Wash hands before eating. Use with adequate ventilation. Avoid breathing dust, vapor, mist, or gas.
Avoid contact with skin and eyes. Avoid ingestion and inhalation.
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# 6373-50-8: 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 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: brown
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 166 deg C @ 13.00mm Hg
Freezing/Melting Point: 53 - 56 deg C
Autoignition Temperature: Not available.
Flash Point: > 110 deg C (> 230.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C12H17N
Molecular Weight: 175.27

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents and strong acids.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 6373-50-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Cyclohexylaniline, 97% - 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.
WGK (Water Danger/Protection)
CAS# 6373-50-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 6373-50-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 6373-50-8 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:2921420090

概述:
2921420090 其他苯胺衍生物及其盐. 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:30.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
HS:2921420090 aniline derivatives and their salts VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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:56.35

2  摩尔体积m3/mol172.9

3  等张比容(90.2K):439.4

4  表面张力dyne/cm41.7

5  极化率10-24cm322.33

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:1

3.氢键受体数量:1

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26

7.重原子数量:13

8.表面电荷:0

9.复杂度:141

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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