4,4'-二甲基三苯胺

4,4'-二甲基三苯胺 基本信息
CAS号 20440-95-3 分子式 C20H19N
分子量 273.37200 精确质量  273.15200
PSA  3.24000 LogP  5.77320

基本信息 展开↓

CAS号:
20440-95-3
3D弹球模型:
立即前往扯扯看
分子式:
C20H19N
分子量:
273.37200
中文名称:
4,4'-二甲基三苯胺
英文名称:
4-methyl-N-(4-methylphenyl)-N-phenylaniline
中文别名:
4,4'-二甲基三苯胺;
N,N-二(4-甲基苯基)苯胺;
4,4’-二甲基三苯胺
英文别名:
4-methyl-N-(4-methylphenyl)-N-phenylaniline;
N,N-Di-p-tolylaniline;
4,4'-Dimethyltriphenylamine;
4,4'-Dimethyltriphenylamine (DMTPA);
Bis(4-Methylphenyl)Phenylamine;
4,4’-Dimethyltriphenylamine;
Phenyl(di-p-tolyl)amine;
4,4′-Dimethyltriphenylamine
精确分子量/精确质量:
273.15200
极性分子表面积/PSA:
3.24000
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:
243-822-7
InChI:
InChI=1/C20H19N/c1-16-8-12-19(13-9-16)21(18-6-4-3-5-7-18)20-14-10-17(2)11-15-20/h3-15H,1-2H3

物化性质展开↓

外观与性状:
白色粉末
密度:
1.079 g/cm3
熔点:
112°C
沸点:
417.5ºC at 760 mmHg
闪点:
183.5ºC
折射率:
1.627
蒸汽压:
3.52E-07mmHg at 25°C
存储条件/存储方法:

储存在阴凉,干燥的地方

稳定性相关:

常温常压下稳定,避免接触强氧化剂

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):112

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↓

海关代码:
2921440000
危险类别码:
R36/37/38:Irritating to eyes, respiratory system and skin .
安全说明:
S26-S36

合成路线查看所有的合成路线

  • 108-86-1

    溴代苯

  • +

  • 620-93-9

    4,4'-二甲基二苯胺

  • ~94%

  • 20440-95-3

    4,4'-二甲基三苯胺

  • 624-31-7

    4-碘甲苯

  • +

  • 74497-02-2

    1-aminobenzene

  • ~93%

  • 20440-95-3

    4,4'-二甲基三苯胺

  • 106-38-7

    对溴甲苯

  • +

  • 4147-89-1

    N,N-bis(trimethylsilyl)aniline

  • ~91%

  • 20440-95-3

    4,4'-二甲基三苯胺

MSDS 展开↓

Name: N-Phenyl Di-P-Tolylamine 97% (GC) Material Safety Data Sheet
Synonym:
CAS: 20440-95-3
Section 1 - Chemical Product   MSDS Name:N-Phenyl Di-P-Tolylamine 97% (GC) Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
20440-95-3 N-Phenyl Di-P-Tolylamine 97 243-822-7
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:
May cause eye irritation. The toxicological properties of this material have not been fully investigated.
Skin:
May cause skin irritation. The toxicological properties of this material have not been fully investigated.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
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 immediately.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
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 immediately.
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. Dusts at sufficient concentrations can form explosive mixtures with air. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use only in a well-ventilated area. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
Storage:
Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 20440-95-3: 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: Powder
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Negligible.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 112 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: Negligible.
Specific Gravity/Density:
Molecular Formula: C20H19N
Molecular Weight: 273.38

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, strong oxidants.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Will not occur.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 20440-95-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
N-Phenyl Di-P-Tolylamine - 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# 20440-95-3: No information available.
Canada
CAS# 20440-95-3 is listed on Canada's NDSL List.
CAS# 20440-95-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 20440-95-3 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2921440000

概述:
2921440000. 二苯胺及其衍生物以及它们的盐. 增值税率:17.0%. 退税率:17.0%. 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:
2921440000. diphenylamine and its derivatives; salts thereof. VAT:17.0%. Tax rebate rate:17.0%. . 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:89.74

2、   摩尔体积(m3/mol)253.1

3、   等张比容(90.2K)653.4

4、   表面张力(dyne/cm)44.4

5、   极化率(10-24cm3)35.57

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:1

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3.2

7.重原子数量:21

8.表面电荷:0

9.复杂度:269

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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