4-(4-MORPHOLINO)-3-NITROBENZALDEHYDE
			
			
				 
- 中文别名:4-4-吗啉-3-硝基苯甲醛
- 中文释义:4-4-吗啉-3-硝基苯甲醛;4-吗啉-3-硝基苯甲醛;4-(4-吗啉)-3-硝基苯甲醛
- 英文别名:Benzaldehyde, 4-(4-morpholinyl)-3-nitro-;
 4-(4-Morpholinyl)-3-nitrobenzaldehyde;
 4-Morpholin-4-yl-3-nitrobenzaldehyde;
 4-Morpholino-3-nitrobenzaldehyde
- CAS No.:300541-91-7
- 分子式:C11H12N2O4
- 分子量:236.22
- 精确分子量:236.07971
- PSA:75.36000
- MDL:MFCD00439926
- InChI:The Key: LIHKXKQSXJAHBN-UHFFFAOYSA-N
- 分子结构式:  
 
			物化性质
- 密度:
- 1.34g/cm3
- 熔点:
- 57-59°C
- 沸点:
- 431.6ºC at 760 mmHg
- 闪点:
- 214.8ºC
- 折射率:
- 1.613
- 其它信息:
- 1. 性状:未确定 - 2. 密度(g/mL20 ºC):未确定 - 3. 相对蒸汽密度(g/mL,空气=1):未确定 - 4. 熔点(ºC):57-59 - 5. 沸点(ºC,常压):未确定 - 6. 沸点(ºC0.8mmHg):未确定 - 7. 折射率: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(kPa,):未确定 - 12. 饱和蒸气压(kPa,60ºC):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
- 密度:
- 1.34g/cm3
- 熔点:
- 57-59°C
- 沸点:
- 431.6ºC at 760 mmHg
- 闪点:
- 214.8ºC
- 折射率:
- 1.613
- 其它信息:
- 1. 性状:未确定 - 2. 密度(g/mL20 ºC):未确定 - 3. 相对蒸汽密度(g/mL,空气=1):未确定 - 4. 熔点(ºC):57-59 - 5. 沸点(ºC,常压):未确定 - 6. 沸点(ºC0.8mmHg):未确定 - 7. 折射率: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(kPa,):未确定 - 12. 饱和蒸气压(kPa,60ºC):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 
MSDS
| Name: | 4-Morpholino-3-nitrobenzaldehyde 95+% Material Safety Data Sheet | 
| Synonym: |  | 
| CAS: | 300541-91-7 | 
  Section 1 - Chemical Product    MSDS Name:4-Morpholino-3-nitrobenzaldehyde 95+% Material Safety Data Sheet 
 Synonym: 
   Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
 | CAS# | Chemical Name | content | EINECS# | 
| 300541-91-7 | 4-Morpholino-3-nitrobenzaldehyde | 95+% | unlisted | 
 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.
 Store under an inert atmosphere.
   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# 300541-91-7: 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: orange
 Odor: odorless - slight odor
 pH: Not available.
 Vapor Pressure: Not available.
 Viscosity: Not available.
 Boiling Point: Not available.
 Freezing/Melting Point: 53 - 55 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: C11H12N2O4
 Molecular Weight: 236
   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, acrid smoke and fumes.
 Hazardous Polymerization: Has not been reported 
   Section 11 - TOXICOLOGICAL INFORMATION
    RTECS#:
 CAS# 300541-91-7 unlisted.
 LD50/LC50:
 Not available.
 Carcinogenicity:
 4-Morpholino-3-nitrobenzaldehyde - 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# 300541-91-7: No information available.
 Canada
 None of the chemicals in this product are listed on the DSL/NDSL list.
 CAS# 300541-91-7 is not listed on Canada's Ingredient Disclosure List.
 US FEDERAL
 TSCA
 CAS# 300541-91-7 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
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
计算化学数据
1.疏水参数计算参考值(XlogP):1
2.氢键供体数量:0
3.氢键受体数量:5
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75.4
7.重原子数量:17
8.表面电荷:0
9.复杂度:286
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