N-(4-二甲基氨基-3,5-二硝基苯)马来酰亚胺

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 结构与计算化学
  • 上游产品

N-(4-二甲基氨基-3,5-二硝基苯)马来酰亚胺 基本信息

中文名称:
N-(4-二甲基氨基-3,5-二硝基苯)马来酰亚胺 
中文别名:
N-(4-二甲基氨基-3,5-二硝基苯)马来酰亚胺;
N-(4-二甲基氨基-3,5-二硝基苯基)马来酰亚胺 
英文名称:
1H-Pyrrole-2,5-dione,1-[4-(dimethylamino)-3,5-dinitrophenyl]-
英文别名:
N-(4-Dimethylamino-3,5-dinitrophenyl)maleimide;
1-[4-(dimethylamino)-3,5-dinitrophenyl]pyrrole-2,5-dione 
CAS No.:
3475-74-9
分 子 式:

C12H10N4O6

分 子 量:
306.23
精确分子量:
306.06000
PSA:
132.26000
EINECS:
222-449-3
InChI:
The Key: QPYAUURPGVXHFK-UHFFFAOYSA-N
危险品标志:

IrritantXi

风险术语:

R36/37/38

安全术语:

S26;S36

分子结构式:
SDS:
查看

N-(4-二甲基氨基-3,5-二硝基苯)马来酰亚胺 物化性质

密度:
1.595g/cm3
熔点:
177-181ºC(lit.)
沸点:
510.1ºC at 760mmHg
闪点:
262.3ºC
折射率:
1.694

N-(4-二甲基氨基-3,5-二硝基苯)马来酰亚胺 安全信息

危险类别码:
36/37/38
安全说明:
26-37/39
危险标志:
Xi: Irritant;

N-(4-二甲基氨基-3,5-二硝基苯)马来酰亚胺 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
ON5220000
CHEMICAL NAME :
Maleimide, N-(4-(dimethylamino)-3,5-dinitrophenyl)-
CAS REGISTRY NUMBER :
3475-74-9
BEILSTEIN REFERENCE NO. :
0333082
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C12-H10-N4-O6
MOLECULAR WEIGHT :
306.26
WISWESSER LINE NOTATION :
T5VNVJ BR CNW ENW DN1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :
Unscheduled DNA synthesis
TEST SYSTEM :
Rodent - rat Liver
DOSE/DURATION :
50 umol/L
REFERENCE :
ENMUDM Environmental Mutagenesis. (New York, NY) V.1-9, 1979-87. For publisher information, see EMMUEG. Volume(issue)/page/year: 3,11,1981

N-(4-二甲基氨基-3,5-二硝基苯)马来酰亚胺 MSDS

Name: N-(4-Dimethylamino-3 5-dinitrophenyl)maleimide Material Safety Data Sheet
Synonym: Tuppy's reagent
CAS: 3475-74-9
Section 1 - Chemical Product   MSDS Name:N-(4-Dimethylamino-3 5-dinitrophenyl)maleimide Material Safety Data Sheet
Synonym:Tuppy's reagent

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
3475-74-9 N-(4-Dimethylamino-3,5-dinitrophenyl)m 222-449-3
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. May cause chemical conjunctivitis.
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:
No information found.

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.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
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# 3475-74-9: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
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: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 177 - 181 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: C12H10N4O6
Molecular Weight: 306.23

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Dust generation.
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# 3475-74-9: ON5220000 LD50/LC50:
Not available.
Carcinogenicity:
N-(4-Dimethylamino-3,5-dinitrophenyl)maleimide - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

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# 3475-74-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 3475-74-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 3475-74-9 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

N-(4-二甲基氨基-3,5-二硝基苯)马来酰亚胺 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):0.8

2.氢键供体数量:0

3.氢键受体数量:7

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:132

7.重原子数量:22

8.表面电荷:0

9.复杂度:507

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

N-(4-二甲基氨基-3,5-二硝基苯)马来酰亚胺 上游产品

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