1-(4-硝基苯基)哌啶

1-(4-硝基苯基)哌啶 基本信息
CAS号 6574-15-8 分子式 C11H14N2O2
分子量 206.24100 精确质量  206.10600
PSA  49.06000 LogP  3.17330

基本信息 展开↓

CAS号:
6574-15-8
3D弹球模型:
立即前往扯扯看
分子式:
C11H14N2O2
分子量:
206.24100
中文名称:
1-(4-硝基苯基)哌啶
英文名称:
1-(4-Nitrophenyl)piperidine
中文别名:
1-(4-硝基苯基)哌啶;
N-(4-硝基苯)哌啶;
1-(4-硝基苯)哌啶
英文别名:
1-(4-Nitrophenyl)piperidine;
N-(4-NITROPHENYL)PIPERIDINE;
4-(piperidin-1-yl)nitrobenzene;
4-CHLORO-2-AMINOPYRIMIDINE;
1-Piperidino-4-nitrobenzene;
1-(4-nitrophenyl)-1H-piperidine;
BUTTPARK 9657-87;
4-(piperidin-1-yl)-1-nitrobenzene;
1-nitro-4-piperidinobenzene;
AURORA 2061
精确分子量/精确质量:
206.10600
极性分子表面积/PSA:
49.06000
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:
MFCD00023662
EINECS:
229-492-7
InChI:
InChI=1/C23H21N5O4S/c1-13-8-10-14(11-9-13)28-20(30)15-6-4-5-7-16(15)25-22(28)33-12-17(29)18-19(24)26(2)23(32)27(3)21(18)31/h4-11H,12,24H2,1-3H3

物化性质展开↓

密度:
1.188 g/cm3
熔点:
104-106°C
沸点:
363.5ºC at 760 mmHg
闪点:
173.6ºC
折射率:
1.706

安全信息展开↓

海关代码:
2933399090
危险类别码:
R36/37/38
安全说明:
S22-S36
安全标志:
S22:不要吸入粉尘。
S36:穿戴合适的防护服装。
危险标志:
Xi:Irritant;

合成路线查看所有的合成路线

  • 110-89-4

    哌啶

  • +

  • 350-46-9

    对氟硝基苯

  • ~99%

  • 6574-15-8

    1-(4-硝基苯基)哌啶

  • 110-89-4

    哌啶

  • +

  • 17763-80-3

    4-硝基苯酚三氟甲基磺酸酯

  • ~99%

  • 6574-15-8

    1-(4-硝基苯基)哌啶

  • 110-89-4

    哌啶

  • +

  • 636-98-6

    4-硝基碘苯

  • ~99%

  • 6574-15-8

    1-(4-硝基苯基)哌啶

化学图谱

  1. N-(4-硝基苯)哌啶红外图谱(IR1)

  2. N-(4-硝基苯)哌啶红外图谱(IR2)

  3. N-(4-硝基苯)哌啶质谱(MS)

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MSDS 展开↓

Name: 1-(4-Nitrophenyl)piperidine 97% Material Safety Data Sheet
Synonym:
CAS: 6574-15-8
Section 1 - Chemical Product   MSDS Name:1-(4-Nitrophenyl)piperidine 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
6574-15-8 1-(4-Nitrophenyl)piperidine 97% 229-492-7
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:
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.

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# 6574-15-8: 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: Solid
Color: yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 104 - 106 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:
Specific Gravity/Density:
Molecular Formula: C11H14N2O2
Molecular Weight: 206

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

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 6574-15-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-(4-Nitrophenyl)piperidine - 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: 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# 6574-15-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 6574-15-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 6574-15-8 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:1

5.互变异构体数量:无

6.拓扑分子极性表面积49.1

7.重原子数量:15

8.表面电荷:0

9.复杂度:213

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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