4,5-二硝基-1,2-氨基苯

4,5-二硝基-1,2-氨基苯 基本信息
CAS号 32690-28-1 分子式 C6H6N4O4
分子量 198.13600 精确质量  198.03900
PSA  143.68000 LogP  2.87620

基本信息 展开↓

CAS号:
32690-28-1
3D弹球模型:
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分子式:
C6H6N4O4
分子量:
198.13600
中文名称:
4,5-二硝基-1,2-氨基苯
英文名称:
4,5-Dinitrobenzene-1,2-diamine
中文别名:
4,5-二硝基-1,2-氨基苯;
4,5-二硝基-1,2-二氨基苯;
4,5-二硝基-O-苯二胺
英文别名:
4,5-Dinitrobenzene-1,2-diamine;
4,5-diamino-1,2-dinitrobenzene;
4,5-dinitro-o-phenylenediamine;
1,2-Benzenediamine,4,5-dinitro;
4,5-Dinitro-1,2-diaminobenzene;
1,2-diamino-4,5-dinitrobenzene;
4,5-dinitro-1,2-phenylenediamine;
4,5-Dinitro-1,2-benzenediamine;
1,2-dinitro-4,5-diaminobenzene
精确分子量/精确质量:
198.03900
极性分子表面积/PSA:
143.68000
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。
InChI:
The Key: PCSIZKSNIWJKSK-UHFFFAOYSA-N

物化性质展开↓

外观与性状:
暗绿色结晶粉末
密度:
1.683g/cm3
熔点:
213ºC
沸点:
541.1ºC at 760mmHg
闪点:
281ºC
折射率:
1.747

安全信息展开↓

海关代码:
2921590090
危险类别码:
R20/21/22
安全说明:
S36/37
危险标志:
Xn:Harmful;

合成路线查看所有的合成路线

  • 23680-12-8

    4,5-diamino-N1,N2-ditosyl-o-phenylenediamine

  • ~97%

  • 32690-28-1

    4,5-二硝基-1,2-氨基苯

  • 95-54-5

    1,2-苯二胺

  • 32690-28-1

    4,5-二硝基-1,2-氨基苯

  • 29420-81-3

    双TOS-4,5-二硝基邻苯二胺

  • 32690-28-1

    4,5-二硝基-1,2-氨基苯

MSDS 展开↓

Name: 4 5-Dinitro-1 2-phenylenediamine Material Safety Data Sheet
Synonym: None Known
CAS: 32690-28-1
Section 1 - Chemical Product   MSDS Name:4 5-Dinitro-1 2-phenylenediamine Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
32690-28-1 4,5-Dinitro-1,2-phenylenediamine 98% unlisted
Hazard Symbols: XN
Risk Phrases: 20/21/22

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
The toxicological properties of this substance have not been fully investigated.
Inhalation:
Harmful if inhaled. May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
  Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid.
Skin:
In case of contact, flush skin with plenty of water. Remove contaminated clothing and shoes. Get medical aid if irritation develops and persists. Wash clothing before reuse.
Ingestion:
If swallowed, do not induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. Get medical aid.
Inhalation:
If inhaled, remove to fresh air. 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:
Wash thoroughly after handling. Use with adequate ventilation.
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.
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# 32690-28-1: 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: Crystalline powder
Color: dark green
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 213-218 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: C6H6N4O4
Molecular Weight: 198.0664

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not currently available.
Conditions to Avoid:
Dust generation.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 32690-28-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4,5-Dinitro-1,2-phenylenediamine - 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: TOXIC SOLID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2811
Packing group: III

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
Safety Phrases:
S 36/37 Wear suitable protective clothing and
gloves.
WGK (Water Danger/Protection)
CAS# 32690-28-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 32690-28-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 32690-28-1 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:2921590090

概述:
2921590090. 其他芳香多胺及衍生物及它们的盐. 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:30.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2921590090. other aromatic polyamines and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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):0.2

2.氢键供体数量:2

3.氢键受体数量:6

4.可旋转化学键数量:0

5.互变异构体数量:无

6.拓扑分子极性表面积:144

7.重原子数量:14

8.表面电荷:0

9.复杂度:221

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

上下游相关产品

上游产品

更多
  • 23680-12-8

    4,5-diamino-N1,N2-ditosyl-o-phenylenediamine

  • 29420-81-3

    双TOS-4,5-二硝基邻苯二胺

  • 95-54-5

    1,2-苯二胺

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