4,4'-亚甲基双(2-异丙基-6-甲基苯胺)

4,4'-亚甲基双(2-异丙基-6-甲基苯胺) 基本信息
CAS号 16298-38-7 分子式 C21H30N2
分子量 310.47600 精确质量  310.24100
PSA  52.04000 LogP  6.46780

基本信息 展开↓

CAS号:
16298-38-7
3D弹球模型:
立即前往扯扯看
分子式:
C21H30N2
分子量:
310.47600
中文名称:
4,4'-亚甲基双(2-异丙基-6-甲基苯胺)
英文名称:
4-[(4-amino-3-methyl-5-propan-2-ylphenyl)methyl]-2-methyl-6-propan-2-ylaniline
中文别名:
4,4'-亚甲基双(2-异丙基-6-甲基苯胺);
4,4’-亚甲基双(2-异丙基-6-甲基苯胺)
英文别名:
4-[(4-amino-3-methyl-5-propan-2-ylphenyl)methyl]-2-methyl-6-propan-2-ylaniline;
Lonzacure(R);
4-{[4-amino-5-methyl-3-(methylethyl)phenyl]methyl}-6-methyl-2-(methylethyl)phe nylamine;
4,4'-Methylen-bis<2-isopropyl-6-methylanilin>;
4,4'-methylenebis[(2-isopropyl-6-methyl)aniline];
4,4'-Methylenebis(2-methyl-6-isopropylaniline);
methylene-1,1-bis(2-isopropyl-6-methylaniline)
精确分子量/精确质量:
310.24100
极性分子表面积/PSA:
52.04000
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:
MFCD00071556
EINECS:
415-150-6
InChI:
The Key: FLNVGZMDLLIECD-UHFFFAOYSA-N

生产制备方法及用途展开↓

制备方法


在聚氨酯(PU)弹性体中作扩链剂,PU制品具有良好的动态力学性能、水解稳定性和低吸水性。建筑涂料的环氧树脂(EP)中作为固化剂,制品具有优秀的低吸水性,高的Tg和很好的弹性。

用途简介


用途


在聚氨酯(PU)弹性体中作扩链剂,PU制品具有良好的动态力学性能、水解稳定性和低吸水性。建筑涂料的环氧树脂(EP)中作为固化剂,制品具有优秀的低吸水性,高的Tg和很好的弹性。

物化性质展开↓

密度:
0.99
沸点:
419.5-423ºC (759.8513 mmHg)
闪点:
273.7ºC
折射率:
1.5892
蒸汽压:
2.03E-08mmHg 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:灰白色结晶粉末

2.       密度(g/mL,25/4):0.99

3.       相对蒸汽密度(g/mL,空气=1):无可用

4.       熔点(ºC):无可用

5.       沸点(ºC,常压):419.5-423

6.       沸点(ºC,5.2kPa):无可用

7.       折射率:1.5892

8.       闪点(ºC):72

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

安全信息展开↓

海关代码:
2921590090
危险标志:
N-Xn,N,Xn

合成路线查看所有的合成路线

  • 50-00-0

    甲醛

  • +

  • 67330-62-5

    3-氯-2,6-二乙基苯胺

  • +

  • 5266-85-3

    2-甲基-6-异丙苯胺

  • 106246-33-7

    4,4’-亚甲基-双-(3-氯-2,6-二乙基苯胺)

  • +

  • 1332763-78-6

    M-MIPACDEA

毒理性展开↓

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。

MSDS 展开↓

Name: 4 4 -Methylenebis(2-isopropyl-6-methylaniline) 98% (Titr.) Material Safety Data Sheet
Synonym: 4,4'-Methylene-bis-(2-methyl-6(1-methylethyl)benzenamine; Benzenamine, 4,4'-methylenebis[2-methyl-6-(1-methylethyl)]
CAS: 16298-38-7
Section 1 - Chemical Product   MSDS Name:4 4 -Methylenebis(2-isopropyl-6-methylaniline) 98% (Titr.) Material Safety Data Sheet
Synonym:4,4'-Methylene-bis-(2-methyl-6(1-methylethyl)benzenamine; Benzenamine, 4,4'-methylenebis[2-methyl-6-(1-methylethyl)]

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
16298-38-7 4,4'-Methylenebis(2-isopropyl-6-methyl 98 unlisted
Hazard Symbols: XN
Risk Phrases: 22

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Harmful if swallowed.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation. May cause chemical conjunctivitis and corneal damage.
Skin:
May cause skin irritation. Absorption into the body may cause cyanosis (bluish discoloration of skin due to deficient oxygenation of the blood).
Ingestion:
May cause irritation of the digestive tract. May cause liver and kidney damage. The toxicological properties of this substance have not been fully investigated. Methemoglobinemia is characterized by dizziness, drowsiness, headache, shortness of breath, cyanosis (bluish discoloration of skin due to deficient oxygenation of the blood), rapid heart rate and chocolate-brown colored blood.
Overexposure may cause methemoglobinemia.
Inhalation:
May cause respiratory tract irritation. May cause liver and kidney damage. The toxicological properties of this substance have not been fully investigated. Methemoglobinemia is characterized by dizziness, drowsiness, headache, shortness of breath, cyanosis (bluish discoloration of skin due to deficient oxygenation of the blood), rapid heart rate and chocolate-brown blood. Inhalation of aniline causes anoxia due to the formation of methemoglobin.
Chronic:
No information found. May cause liver and kidney damage. May cause methemoglobinemia, which is characterized by chocolate-brown colored blood, headache, weakness, dizziness, breath shortness, cyanosis (bluish skin due to deficient oxygenation of blood), rapid heart rate, unconsciousness and possible death.

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.
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:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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:
For methemoglobinemia, administer oxygen alone or with Methylene Blue depending on the methemoglobin concentration in the blood.
Antidote: Methylene blue, alone or in combination with oxygen is indicated as a treatment in nitrite induced methemoglobinemia.

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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
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:
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 with adequate ventilation. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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# 16298-38-7: 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:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Solid or liquid
Color: dark brown
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: Not available.
Specific Gravity/Density: .9900g/cm3
Molecular Formula: C21H30N2
Molecular Weight: 310.45

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

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 16298-38-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4,4'-Methylenebis(2-isopropyl-6-methyl aniline) - 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: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

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:
WGK (Water Danger/Protection)
CAS# 16298-38-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 16298-38-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 16298-38-7 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:2921590090

概述:
2921590090. 其他芳香多胺及衍生物及它们的盐. 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:30.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2921590090. other aromatic polyamines and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . 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:102.05

2   摩尔体积m3/mol):306.0

3   等张比容90.2K):775.3

4   表面张力3.0 dyne/cm):41.1

5   极化率0.5 10-24cm3):40.45

计算化学数据


1.疏水参数计算参考值(XlogP):5.5

2.氢键供体数量:2

3.氢键受体数量:2

4.可旋转化学键数量:4

5.互变异构体数量:无

6.拓扑分子极性表面积52

7.重原子数量:23

8.表面电荷:0

9.复杂度:331

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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  • 5266-85-3

    2-甲基-6-异丙苯胺

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