2,4-二甲基喹啉

  • 基本信息
  • 制备方法及用途
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 结构与计算化学
  • 上游产品
  • 下游产品
  • 表征图谱

2,4-二甲基喹啉 基本信息

中文名称:
2,4-二甲基喹啉 
中文别名:
2,4-二甲基喹啉;
4-甲基喹哪啶;
2,4-二甲基-1-氮杂萘;
2,4-二甲基(5,6)苯并吡啶;
2,4-二甲喹啉 
英文名称:
Quinoline,2,4-dimethyl-
英文别名:
2,4-Dimethylquinoline;
2,4-DIMETHYLQUINOLINE 
CAS No.:
1198-37-4
分 子 式:
C11H11N
分 子 量:
157.21
精确分子量:
157.08900
PSA:
12.89000
EINECS:
214-832-9
InChI:
InChI=1/C11H11N/c1-8-7-9(2)12-11-6-4-3-5-10(8)11/h3-7H,1-2H3
危险品标志:
IrritantXi
风险术语:
R36/38
安全术语:
S26;S36
分子结构式:
SDS:
查看

2,4-二甲基喹啉 制备方法及用途

制备方法

将加有碘的苯胺加热到170-175℃,滴加丙酮,并强烈搅拌,同时收集馏出物。从反应混合物和馏出物中减压蒸馏分离出苯胺、中间馏分2,2,4三甲基-1,2-二氢喹啉。后者与无水苯胺、金属钠及铜粉一起加热反应,从反应物中减压分馏,可得2,4-二甲基喹啉,收率80-90%。

合成制备方法

将加有碘的苯胺加热到170-175℃,滴加丙酮,并强烈搅拌,同时收集馏出物。从反应混合物和馏出物中减压蒸馏分离出苯胺、中间馏分2,2,4三甲基-1,2-二氢喹啉。后者与无水苯胺、金属钠及铜粉一起加热反应,从反应物中减压分馏,可得2,4-二甲基喹啉,收率80-90%。

用途简介

染料中间体。

用途

染料中间体。

2,4-二甲基喹啉 物化性质

密度:
1.061 g/mL at 25 °C(lit.)
沸点:
264-265 °C(lit.)
闪点:
>230 °F
折射率:
n20/D 1.605(lit.)
蒸汽压:
0.0164mmHg at 25°C
存储条件/存储方法:

保持贮藏器密封、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:黄色或无色液体

2.       密度(g/cm3,20):1.061

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):未确定

2,4-二甲基喹啉 安全信息

WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R36/38
安全说明:
S26-S37/39
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
:
危险标志:
Xi: Irritant;

2,4-二甲基喹啉 毒理性

生态数据:

对水是稍微有危害的不要让未稀释或大量的产品接触地下水、水道或者污水系统,若无政府许可,勿将材料排入周围环境。

2,4-二甲基喹啉 MSDS

Name: 2 4-Dimethylquinoline 97% Material Safety Data Sheet
Synonym:
CAS: 1198-37-4
Section 1 - Chemical Product   MSDS Name:2 4-Dimethylquinoline 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
1198-37-4 2,4-Dimethylquinoline 97% 214-832-9
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes 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:
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 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:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable 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:
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# 1198-37-4: 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: Liquid
Color: yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 264 - 265 deg C
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: 113 deg C ( 235.40 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.061
Molecular Formula: C11H11N
Molecular Weight: 157.22

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

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 1198-37-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,4-Dimethylquinoline - 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: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 1198-37-4: No information available.
Canada
CAS# 1198-37-4 is listed on Canada's DSL List.
CAS# 1198-37-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 1198-37-4 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

2,4-二甲基喹啉 分子结构与计算化学数据

分子结构数据

1、   摩尔折射率:51.83

2、   摩尔体积(m3/mol):149.3

3、   等张比容(90.2K):380.5

4、   表面张力(dyne/cm):42.1

5、   极化率10-24cm3):20.54

计算化学数据

1.疏水参数计算参考值(XlogP):3

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:0

5.互变异构体数量:无

6.拓扑分子极性表面积12.9

7.重原子数量:12

8.表面电荷:0

9.复杂度:155

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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