3,4-二硝基苯胺

3,4-二硝基苯胺 基本信息
CAS号 610-41-3 分子式 C6H5N3O4
分子量 183.12200 精确质量 　183.02800
PSA 　117.66000 LogP 　2.71280
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目录
基本信息 物化性质 安全信息 合成路线 毒性 MSDS 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
610-41-3
3D弹球模型：
立即前往扯扯看
分子式：
C6H5N3O4
分子量：
183.12200
中文名称：
3,4-二硝基苯胺
英文名称：
3,4-DINITROANILINE
中文别名：
3,4-二硝基苯胺;
4-chloro-1,2-dinitrobenzene;
1-Chloro-3,4-dinitrobenzene;
Benzene, 4-bromo-1,2-dinitro-;
BRN 2107504;
4-hydroxybenzene-1,2-dicarboxylic acid;
4-hydroxybenzene-1,2-dicarboxylate;
4-Hydroxy-1,2-benzenedicarboxylic acid;
4-Nitro-2-benzenedicarboxylic acid;
4-nitrobenzene-1,2-dicarboxylate;
4-Nitro phthalic acid;
4-Nitrophthalic acid;
Ethyl-2-bromoisovalerate;
Ethyl 2-bromoisovalerate;
DIETHYL METHYLMALONATE 99% (GC);
Diethylmethylmalonate,99%;
Diethyl methylpropanedioate;
Diethyl methylmalonate;
2-METHYLRESORCINOL;
Methyl 2-methoxybenzoate;
METHYL-ORTHO-METHOXYBENZOATE;
1,1-dinitroethane;
Methyl-o-methoxy benzoate;
6-methoxy-6-methyl-cyclohexa-2,4-diene-1-carboxylate;
methyl o-anisate
英文别名：
3,4-DINITROANILINE;
Benzenamine,3,4-dinitro;
3,4-dinitrophenylamine;
3,4-dinitro-aniline;
3,4-Dinitroanilin;
3,4-dinitrobenzenamine
精确分子量/精确质量：
183.02800
极性分子表面积/PSA：
117.66000
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：
MFCD00456811
PubChem：
24879207
InChI：
InChI=1/C6H5N3O4/c7-4-1-2-5(8(10)11)6(3-4)9(12)13/h1-3H,7H2

物化性质展开↓

密度：
1.376 g/mL at 25 °C(lit.)
熔点：
154-158 °C(lit.)
沸点：
71 °C(lit.)
闪点：
>230 °F
折射率：
1.679
存储条件/存储方法：

贮存：

将密器密封，储存密封的主藏器内，并放在阴凉， 干爽的位置。

稳定性相关：

性质与稳定性：

常温常压下，或不分解产物。

安全信息展开↓

包装等级：
II
风险类别：
6.1
海关代码：
2921420090
WGK_Germany：
2
德国有关水污染物质的分类清单
危险类别码：
R23/24/25
安全说明：
S28-S37-S45
安全标志：
S28:接触皮肤之后，立即使用大量皂液洗涤。
S37:使用合适的防护手套。
S45:出现意外或者感到不适，立刻到医生那里寻求帮助（最好带去产品容器标签）。
危险标志：
T,Xi

合成路线查看所有的合成路线

  • 73334-01-7

    3,4-dinitroacetanilide

  • →

    ~93%

  • 610-41-3

    3,4-二硝基苯胺

  • 7664-93-9

    硫酸

  • +

  • 60956-27-6

    2,3-二硝基乙酰苯胺

  • →

  • 602-03-9

    2,3-二硝基苯胺

  • +

  • 619-18-1

    2,5-dinitroaniline

  • 55739-01-0

    N-(3-nitrophenyl)nitramide

  • +

  • 64-19-7

    乙酸

  • →

  • 602-03-9

    2,3-二硝基苯胺

  • +

  • 610-41-3

    3,4-二硝基苯胺

毒理性展开↓

生态数据：

三、生态学数据：

1、其它有害作用：该物质对环境可能有危害，对水体应给予特别注意。

MSDS 展开↓

Name: 3 4-Dinitroaniline Material Safety Data Sheet
Synonym:
CAS: 610-41-3
Section 1 - Chemical Product   MSDS Name:3 4-Dinitroaniline Material Safety Data Sheet
Synonym:
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
610-41-3 3,4-Dinitroaniline unlisted
Hazard Symbols: T
Risk Phrases: 23/24/25 33
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Toxic by inhalation, in contact with skin and if swallowed. Danger of cumulative effects.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. Toxic in contact with skin.
Ingestion:
May cause irritation of the digestive tract. Toxic if swallowed.
Inhalation:
May cause respiratory tract irritation. Toxic if inhaled.
Chronic:
There is a danger of cumulative effects.
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:
Get medical aid immediately. Wash mouth out with water.
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:
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:
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.
Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 610-41-3: 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: Powder
Color: yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 154 - 156 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: C6H5N3O4
Molecular Weight: 183.12
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong acids, acetic anhydride, acid chlorides, chlorine, hydrochloric acid.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Will not occur.
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 610-41-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3,4-Dinitroaniline - 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: DINITROANILINES
Hazard Class: 6.1
UN Number: 1596
Packing Group: II
IMO
Shipping Name: DINITROANILINES
Hazard Class: 6.1
UN Number: 1596
Packing Group: II
RID/ADR
Shipping Name: DINITROANILINES
Hazard Class: 6.1
UN Number: 1596
Packing group: II
Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: T
Risk Phrases:
R 23/24/25 Toxic by inhalation, in contact with skin
and if swallowed.
R 33 Danger of cumulative effects.
Safety Phrases:
S 28A After contact with skin, wash immediately with
plenty of water.
S 36/37 Wear suitable protective clothing and
gloves.
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# 610-41-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 610-41-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 610-41-3 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：2921420090

概述：
2921420090 其他苯胺衍生物及其盐. 增值税率:17.0% 退税率:9.0% 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：
HS:2921420090 aniline derivatives and their salts VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

分子结构与计算化学数据展开↓

分子结构数据

五、分子性质数据：

1、   摩尔折射率：43.58

2、   摩尔体积（m3/mol）：115.3

3、   等张比容（90.2K）：344.0

4、   表面张力（dyne/cm）：79.0

5、 极化率（10-24cm3）：17.27

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:1

3.氢键受体数量:5

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118

7.重原子数量:13

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

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