4-(4-硝基苄基)吗啡啉

4-(4-硝基苄基)吗啡啉 基本信息
CAS号 6425-46-3 分子式 C11H14N2O3
分子量 222.24000 精确质量  222.10000
PSA  58.29000 LogP  1.88810

基本信息 展开↓

CAS号:
6425-46-3
3D弹球模型:
立即前往扯扯看
分子式:
C11H14N2O3
分子量:
222.24000
中文名称:
4-(4-硝基苄基)吗啡啉
英文名称:
4-[(4-nitrophenyl)methyl]morpholine
中文别名:
4-(4-硝基苄基)吗啡啉;
4-(4-硝基苄基)吗啉
英文别名:
4-[(4-nitrophenyl)methyl]morpholine;
4-(4-nitrobenzyl)morpholine;
4-[(4-nitrophenyl)-methyl]-morpholine;
4-(N-Morpholinomethyl)-1-nitrobenzene;
4-(morpholino-methyl)-nitrobenzene
精确分子量/精确质量:
222.10000
极性分子表面积/PSA:
58.29000
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:
MFCD00448629
InChI:
The Key: KNTGXGBOYZAKTA-UHFFFAOYSA-N

物化性质展开↓

外观与性状:
黄色-橙色至橙色结晶粉末
密度:
1.243 g/cm3
熔点:
79.6-80ºC
沸点:
349.4ºC at 760 mmHg
闪点:
165.1ºC
折射率:
1.578
存储条件/存储方法:

密封储存,储存于阴凉、干燥的库房。远离腐蚀区。

稳定性相关:

避免与不相容材料接触。
与强氧化剂反应。

其它信息:

1.      性状:黄色或橙色固体

2.      密度(g/mL,25):未确定

3.      相对蒸汽密度(g/mL,空气=1):未确定

4.      熔点(ºC):79.6-80

5.      沸点(ºC,常压):未确定

6.      沸点(ºC17mmHg):未确定

7.      折射率(n20/D):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(mmHg,217ºC):未确定

12.   饱和蒸气压(kPa,25ºC):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:
2934999090
危险类别码:
R34
安全说明:
S22-S26-S36-S37-S39
安全标志:
S22:不要吸入粉尘。
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
:

合成路线查看所有的合成路线

  • 110-91-8

    吗啉

  • +

  • 555-16-8

    对硝基苯甲醛

  • ~99%

  • 6425-46-3

    4-(4-硝基苄基)吗啡啉

  • 110-91-8

    吗啉

  • +

  • 100-11-8

    对硝基溴化苄

  • ~99%

  • 6425-46-3

    4-(4-硝基苄基)吗啡啉

  • 4394-85-8

    N-甲酰吗啉

  • +

  • 100-14-1

    1-(氯甲基)-4-硝基苯

  • ~98%

  • 6425-46-3

    4-(4-硝基苄基)吗啡啉

MSDS 展开↓

Name: 4-(4-Nitrobenzyl)morpholine Material Safety Data Sheet
Synonym:
CAS: 6425-46-3
Section 1 - Chemical Product   MSDS Name:4-(4-Nitrobenzyl)morpholine Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
6425-46-3 4-(4-Nitrobenzyl)morpholine unlisted
Hazard Symbols: C
Risk Phrases: 34

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Causes burns.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
Not available.

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 immediately.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Do not induce vomiting. Get medical aid immediately.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
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 foam, dry chemical, or carbon dioxide.

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:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Corrosives area.

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# 6425-46-3: 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: cream
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 79.6 - 80 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: C11H14N2O3
Molecular Weight: 222.24

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# 6425-46-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-(4-Nitrobenzyl)morpholine - 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: CORROSIVE SOLID, BASIC, ORGANIC, N.O.S.*
Hazard Class: 8
UN Number: 3263
Packing Group: III
IMO
Shipping Name: CORROSIVE SOLID, BASIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3263
Packing Group: III
RID/ADR
Shipping Name: CORROSIVE SOLID, BASIC, ORGANIC, N.O.S.
Hazard Class: 8
UN Number: 3263
Packing group: III

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 6425-46-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 6425-46-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 6425-46-3 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:2934999090

概述:
2934999090. 其他杂环化合物. 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
摘要/Summary:
2934999090. other heterocyclic compounds. 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:4

4.可旋转化学键数量:2

5.互变异构体数量:无

6.拓扑分子极性表面积58.3

7.重原子数量:16

8.表面电荷:0

9.复杂度:228

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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  • 110-91-8

    吗啉

  • 100-11-8

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    N-甲酰吗啉

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  • 500-11-8

    1-(fluoromethyl)-4-nitrobenzene

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  • 95539-61-0

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