4-硝基吡啶

4-硝基吡啶 基本信息
CAS号 1122-61-8 分子式 C5H4N2O2
分子量 124.09700 精确质量  124.02700
PSA  58.71000 LogP  1.51300

基本信息 展开↓

CAS号:
1122-61-8
3D弹球模型:
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分子式:
C5H4N2O2
分子量:
124.09700
中文名称:
4-硝基吡啶
英文名称:
4-Nitropyridine
中文别名:
4-硝基吡啶;
4 dimethylamino pyridine;
N,N-Dimethyl-4-pyridinamine;
4-(Dimethylamino)pyridine;
p-Dimethylaminopyridine;
gamma-(Dimethylamino)pyridine;
4-Dimethyl amino pyridine;
4-(dimethylamino)-pyridin;
4-Dimethylaminepyridine;
N,N-Dimethyl-4-aminopyridine;
n,n-dimethyl-4-pyridinamin;
Pyridine, 4-(dimethylamino)-;
AURORA KA-6495;
26DCLPY;
4-(Dimethylamino)pyridine, 99%, prilled;
4-(DIMETHYLAMINO)PYRIDINE SOLUTION;
4-(Dimethylamino)pyridine, ReagentPlus;
N,N'-DIMEHTYL-4-PYRIDINAMINE;
4-(Dimethylamino) PyridineForSynthesis;
4-N,N-Dimethylaminopyridine;
N,N-dimethylpyridin-4-amine;
4-dimethylamino pyridine;
N,N-dimethylpyridin-2-amine;
4-(dimethylamino)pyridinium;
4dimethylaminopyridine;
4-dimethylamiopryidine;
Dimethyl-pyridin-4-yl-amine;
Dimethyl-pyridin-4-yl-amine(DMAP);
N-(4-Pyridyl)dimethylamine;
4-Dimethylaminopyridine
英文别名:
4-Nitropyridine;
Pyridine,4-nitro;
4-nitro-pyridine;
4-Nitro-pyridin;
IFLAB-BB F1371-0143
精确分子量/精确质量:
124.02700
极性分子表面积/PSA:
58.71000
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。
InChI:
InChI=1/C5H4N2O2/c8-7(9)5-1-3-6-4-2-5/h1-4H

物化性质展开↓

密度:
1.313 g/cm3
熔点:
51-54 °C(lit.)
沸点:
231.1ºC at 760 mmHg
闪点:
>230 °F
折射率:
1.567
蒸汽压:
0.0961mmHg at 25°C

安全信息展开↓

海关代码:
2933399090
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R22:Harmful if swallowed. R36/37/38:Irritating to eyes, respiratory system and skin .
安全说明:
S26
危险标志:
Xn

合成路线查看所有的合成路线

  • 1124-33-0

    4-硝基吡啶-N-氧化物

  • ~98%

  • 1122-61-8

    4-硝基吡啶

  • 54750-97-9

    lithium,4H-pyridin-4-ide

  • ~56%

  • 1122-61-8

    4-硝基吡啶

  • 504-24-5

    4-氨基吡啶

  • ~52%

  • 1122-61-8

    4-硝基吡啶

化学图谱

  1. 4-硝基吡啶红外图谱(IR1)

  2. 4-硝基吡啶红外图谱(IR2)

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MSDS 展开↓

Name: 4-Nitropyridine Material Safety Data Sheet
Synonym:
CAS: 1122-61-8
Section 1 - Chemical Product   MSDS Name:4-Nitropyridine Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
1122-61-8 4-Nitropyridine unlisted
Hazard Symbols: XN F
Risk Phrases: 11 20/21/22

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Highly flammable. Harmful by inhalation, in contact with skin and if swallowed.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. May cause respiratory tract irritation.
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. Flammable solid.
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.
Flammables-area.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 1122-61-8: 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: Crystals
Color: yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 50 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: Slightly soluble.
Specific Gravity/Density:
Molecular Formula: C5H4N2O2
Molecular Weight: 124.0402

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# 1122-61-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Nitropyridine - 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 F
Risk Phrases:
R 11 Highly flammable.
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
Safety Phrases:
S 16 Keep away from sources of ignition - No
smoking.
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# 1122-61-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 1122-61-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 1122-61-8 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:2933399090

概述:
2933399090. 其他结构含非稠合吡啶环的化合物. 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:20.0%
申报要素:
品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
摘要/Summary:
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

分子结构与计算化学数据展开↓

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:3

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58.7

7.重原子数量:9

8.表面电荷:0

9.复杂度:104

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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