N,N -二甲基-3,5-硝基苯 | 46429-76-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: N,N -二甲基-3,5-硝基苯
• 中文别名: N,N-二甲基-3,5-硝基苯；N,N-二甲基-3,5-二硝基苯胺
• 英文名称: N,N-dimethyl-3,5-dinitroaniline
• 英文别名: N,N-dimethyl-3,5-dinitro-aniline；N,N-Dimethyl-3,5-dinitro-anilin；3,4-Dinitro-N,N-dimethyl-anilin；N,N-Dimethyl-2,4-dinitro-anilin
• CAS: 46429-76-9
• 化学式: C₈H₉N₃O₄
• mdl: MFCD00671530
• 分子量: 211.177
• InChiKey: OXIFFLMOPHMUEE-UHFFFAOYSA-N

物化性质

• 熔点：
  166 °C

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  94.9
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2921430090

SDS

N,N-Dimethyl-3,5-dinitroaniline
SAFETY DATA SHEET

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Section 1. IDENTIFICATION
Product name: N,N-Dimethyl-3,5-dinitroaniline

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Section 2. HAZARDS IDENTIFICATION
GHS classification
PHYSICAL HAZARDS
Type C
Self-reactive substances and mixtures
HEALTH HAZARDS
Category 4
Acute toxicity (Oral)
Acute toxicity (Dermal) Category 4
Category 4
Acute toxicity (Inhalation)
Skin corrosion/irritation Category 2
Category 2A
Serious eye damage/eye irritation
ENVIRONMENTAL HAZARDS Not classified
GHS label elements, including precautionary statements
Pictograms or hazard symbols
Danger
Signal word
Hazard statements Heating may cause a fire
Harmful if swallowed, in contact with skin or if inhaled
Causes skin irritation
Causes serious eye irritation
Precautionary statements:
Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
[Prevention]
Keep away from incompatible materials such as oxidizing agents.
Keep only in original container.
Avoid breathing dust/fume/gas/mist/vapours/spray.
Use only outdoors or in a well-ventilated area.
Do not eat, drink or smoke when using this product.
Wash hands thoroughly after handling.
Wear protective gloves and eye/face protection.
N,N-Dimethyl-3,5-dinitroaniline

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Section 2. HAZARDS IDENTIFICATION
[Response] IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for
breathing. Call a POISON CENTER or doctor/physician if you feel unwell.
IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell.
Rinse mouth.
IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
if present and easy to do. Continue rinsing.
If eye irritation persists: Get medical advice/attention.
IF ON SKIN: Gently wash with plenty of soap and water.
If skin irritation occurs: Get medical advice/attention.
Wash contaminated clothing before reuse.
Call a POISON CENTER or doctor/physician if you feel unwell.
[Storage] Store away from other materials.
Store in a well-ventilated place. Keep cool.
[Disposal] Dispose of contents/container through a waste management company authorized by
the local government.

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance/mixture: Substance
N,N-Dimethyl-3,5-dinitroaniline
Components:
Percent: ....
CAS Number: 46429-76-9
Chemical Formula: C8H9N3O4

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Section 4. FIRST AID MEASURES
Inhalation: Remove victim to fresh air and keep at rest in a position comfortable for breathing.
Call a POISON CENTER or doctor/physician if you feel unwell.
Skin contact: Remove/Take off immediately all contaminated clothing. Gently wash with plenty of
soap and water. If skin irritation or rash occurs: Get medical advice/attention.
Eye contact: Rinse cautiously with water for several minutes. Remove contact lenses, if present
and easy to do. Continue rinsing. If eye irritation persists: Get medical
advice/attention.
Ingestion: Call a POISON CENTER or doctor/physician if you feel unwell. Rinse mouth.
A rescuer should wear personal protective equipment, such as rubber gloves and air-
Protection of first-aiders:
tight goggles.

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Section 5. FIRE-FIGHTING MEASURES
Suitable extinguishing Dry chemical, foam, water spray, carbon dioxide.
media:
Specific hazards arising Explosion risk in case of fire. Fight fire remotely due to the risk of explosion.
from the chemical: Take care as it may decompose upon combustion or in high temperatures to
generate poisonous fume.
Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
method according to the surrounding situation is used. Uninvolved persons should
evacuate to a safe place. In case of fire in the surroundings: Keep containers cool by
spraying with water. Eliminate all ignition sources if safe to do so.
Special protective When extinguishing fire, be sure to wear personal protective equipment.
equipment for firefighters:

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Section 6. ACCIDENTAL RELEASE MEASURES
Use personal protective equipment. Keep people away from and upwind of spill/leak.
Personal precautions,
protective equipment and Entry to non-involved personnel should be controlled around the leakage area by
emergency procedures: roping off, etc.
Environmental precautions: Prevent product from entering drains.
Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it.
containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with
up: appropriate laws and regulations.
N,N-Dimethyl-3,5-dinitroaniline

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Section 6. ACCIDENTAL RELEASE MEASURES
Prevention of secondary Remove all sources of ignition. Fire-extinguishing devices should be prepared in
hazards: case of a fire. Use spark-proof tools and explosion-proof equipment.

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Section 7. HANDLING AND STORAGE
Precautions for safe handling
Technical measures: Handling is performed in a well ventilated place. Wear suitable protective equipment.
Be careful not to cause leakage, overflow, or dispersion. Steam should not be
generated unnecessarily. Keep away from heat/sparks/open flame/hot surfaces. -No
smoking. Take measures to prevent the build up of electrostatic charge. Use
explosion-proof equipment. Avoid shock and friction. Wash hands and face before
breaks and immediately after handling the product.
Use a local exhaust if dust or aerosol will be generated.
Advice on safe handling: Avoid contact with skin, eyes and clothing.
Conditions for safe storage, including any
incompatibilities
Storage conditions: Keep container tightly closed. Store in a cool, dark and well-ventilated place.
Be sure not to give the container unexpected impacts, such as falling down or falling
off.
Store away from other materials.
Packaging material: Comply with laws. Keep only in original container.

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Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Engineering controls: Install a closed system or local exhaust as possible so that workers should not be
exposed directly. Also install safety shower and eye bath.
Personal protective equipment
Respiratory protection: Dust respirator. Follow local and national regulations.
Protective gloves.
Hand protection:
Eye protection: Safety glasses. A face-shield, if the situation requires.
Skin and body protection: Protective clothing. Protective boots, if the situation requires.

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Physical state (20°C): Solid
Form: Crystal- Powder
Pale yellow - Reddish yellow
Colour:
Odour: No data available
pH: No data available
Melting point/freezing point:166°C
Boiling point/range: No data available
Flash point: No data available
Flammability or explosive
limits:
Lower: No data available
Upper: No data available
Relative density: No data available
Solubility(ies):
[Water] No data available
[Other solvents] No data available

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Section 10. STABILITY AND REACTIVITY
Chemical stability: Stable under proper conditions.
Possibility of hazardous May explosively decompose on heating, shock, friction, etc.
reactions:
Heat, Spark, Open flame, Shock, Friction
Conditions to avoid:
Incompatible materials: Oxidizing agents
Hazardous decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx)
products:
N,N-Dimethyl-3,5-dinitroaniline

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Section 11. TOXICOLOGICAL INFORMATION
Acute Toxicity: No data available
Skin corrosion/irritation: No data available
Serious eye No data available
damage/irritation:
Germ cell mutagenicity: No data available
Carcinogenicity:
No data available
IARC =
NTP = No data available
No data available
Reproductive toxicity:

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Section 12. ECOLOGICAL INFORMATION
Ecotoxicity:
Fish: No data available
Crustacea: No data available
Algae: No data available
Persistence / degradability: No data available
Bioaccumulative No data available
potential(BCF):
Mobility in soil
Log Pow: No data available
Soil adsorption (Koc): No data available
Henry's Law No data available
constant(PaM3/mol):

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Section 13. DISPOSAL CONSIDERATIONS
Recycle to process, if possible. Consult your local regional authorities and an expert of disposal. You may be able
to dissolve or mix material with a combustible solvent and little by little burn in a chemical incinerator equipped with
an afterburner and scrubber system. If a large amount of the substance is burned at a time, an explosion may
occur. Observe all federal, state and local regulations when disposing of the substance.

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Section 14. TRANSPORT INFORMATION
Hazards Class: 4.1: Flammable solid.
UN-No: 3224
Proper shipping name: Self-reactive solid type C

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Section 15. REGULATORY INFORMATION
Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002
and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport,
loading and unloading were prescribed.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  N,N -二甲基-3,5-硝基苯 在 硝酸 作用下， 生成 N-methyl-2,3,4,5,N-pentanitro-aniline
  参考文献：
  名称：

  The Structure and Infrared Absorption Spectra of Polynitrophenylmethylnitramines and Polynitroanilines¹

  摘要：

  DOI：

  10.1021/ja01152a010
• 作为产物：
  描述：

  1,3,5-三硝基苯 、 二甲胺 以 水 为溶剂， 反应 4.0h， 以89.3%的产率得到N,N -二甲基-3,5-硝基苯
  参考文献：
  名称：

  Preparation of N-alkyl-substituted 3,5-dinitroanilines by amination of 1,3,5-trinitrobenzene

  摘要：

  一些简单的脂肪族胺对 1,3,5-三硝基苯进行了高效胺化，生成了相应的 N-烷基取代的 3,5-二硝基苯胺。

  DOI：

  10.3184/030823408x293198

文献信息

• Interaction of Hexamethylphosphoric Triamide with m-dinitrobenzenes
  作者：Mikhail D. Dutov、Olga V. Serushkina

  DOI：10.1016/j.mencom.2013.05.019

  日期：2013.5

  Heating of 1-X-3,5-dinitrobenzenes (X is an electron-withdrawing group) in hexamethylphosphoric triamide affords the corresponding 1-X-3-dimethylamino-5-nitrobenzenes.
• 589. The separation of aromatic amines by partition chromatography. Part I. An investigation of the N-alkylation of 3 : 5-dinitroaniline
  作者：John C. Roberts、Keith Selby

  DOI：10.1039/jr9490002785

  日期：——
• Preparation of N-alkyl-substituted 3,5-dinitroanilines by amination of 1,3,5-trinitrobenzene
  作者：Chao Qian、Jinqiang Liu、Xinzhi Chen

  DOI：10.3184/030823408x293198

  日期：2008.2

  Highly efficient amination of 1,3,5-trinitrobenzene by a number of simple aliphatic amines to form the corresponding N-alkyl-substituted 3,5-dinitroanilines has been achieved.

  一些简单的脂肪族胺对 1,3,5-三硝基苯进行了高效胺化，生成了相应的 N-烷基取代的 3,5-二硝基苯胺。
• The Structure and Infrared Absorption Spectra of Polynitrophenylmethylnitramines and Polynitroanilines¹
  作者：W. C. Lothrop、G. R. Handrick、R. M. Hainer

  DOI：10.1021/ja01152a010

  日期：1951.8

表征谱图