3-氯-4-硝基苯胺

  • 基本信息
  • 物化性质
  • 安全信息
  • MSDS
  • 海关数据
  • 结构与计算化学
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3-氯-4-硝基苯胺 基本信息

中文名称:
3-氯-4-硝基苯胺 
中文别名:
3-氯-4-硝基苯胺;
Ethanone, 1-(2-bromo-4-chlorophenyl)-;
2-Bromo-4-chloroacetophenone;
2'-Bromo-4'-chloroacetophenone;
1-(2-bromo-4-chlorophenyl)ethanone;
3-甲氧基氯苄;
alpha-Chloro-4-methoxytoluene;
p-Toluenesulfinic acid, sodium salt;
p-tolylsulfonylsodium;
P-Toluenesulfinic acid sodium salt;
Sodium p-tolylsulfinate;
isocyanic acid, diester with 1,6-hexanediol;
isocyanic acid, hexamethylene ester;
TL 78;
Hexamethylene Diisocyanate;
4-methyl-2-oxovaleric aci 
英文名称:
3-Chloro-4-nitroaniline
英文别名:
3-Chloro-4-Nitroaniline;
3-CHLORO-4-NITROANILINE 
CAS No.:
825-41-2
分 子 式:

C6H5ClN2O2

分 子 量:
172.57
精确分子量:
172.00400
PSA:
71.84000
InChI:
InChI=1/C6H5ClN2O2/c7-5-3-4(8)1-2-6(5)9(10)11/h1-3H,8H2
危险品标志:

IrritantXi

风险术语:

 

安全术语:

 

分子结构式:
SDS:
查看

3-氯-4-硝基苯胺 物化性质

密度:
1.494g/cm3
熔点:
158ºC
沸点:
366.8ºC at 760 mmHg
闪点:
175.7ºC
折射率:
1.646

3-氯-4-硝基苯胺 安全信息

海关代码:
2921420090
危险标志:
Xi: Irritant;

3-氯-4-硝基苯胺 MSDS

Name: 3-Chloro-4-nitroaniline 97% Material Safety Data Sheet
Synonym:
CAS: 825-41-2
Section 1 - Chemical Product   MSDS Name:3-Chloro-4-nitroaniline 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
825-41-2 3-Chloro-4-nitroaniline 97% unlisted
Hazard Symbols: T+ N
Risk Phrases: 26/27/28 33 51/53

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Very toxic by inhalation, in contact with skin and if swallowed.
Danger of cumulative effects. Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Potential Health Effects
Eye:
Causes mild eye irritation.
Skin:
May be fatal if absorbed through the skin. Absorption into the body may cause cyanosis (bluish discoloration of skin due to deficient oxygenation of the blood).
Ingestion:
May be fatal if swallowed. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May be fatal if inhaled.
Chronic:
Not available.

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. Dusts at sufficient concentrations can form explosive mixtures with air.
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. Avoid generating dusty conditions.

Section 7 - HANDLING and STORAGE
  Handling:
Minimize dust generation and accumulation. 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# 825-41-2: 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: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
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:
Molecular Weight: 172.57

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong acids, strong bases.
Hazardous Decomposition Products:
Hydrogen chloride, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 825-41-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-Chloro-4-nitroaniline - 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: CHLORONITROANILINES
Hazard Class: 6.1
UN Number: 2237
Packing Group: III
IMO
Shipping Name: CHLORONITROANILINES
Hazard Class: 6.1
UN Number: 2237
Packing Group: III
RID/ADR
Shipping Name: CHLORONITROANILINES
Hazard Class: 6.1
UN Number: 2237
Packing group: III

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: T+ N
Risk Phrases:
R 26/27/28 Very toxic by inhalation, in contact with
skin and if swallowed.
R 33 Danger of cumulative effects.
R 51/53 Toxic to aquatic organisms, may cause
long-term adverse effects in the aquatic environment.
Safety Phrases:
S 28 After contact with skin, wash immediately
with...
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).
S 61 Avoid release to the environment. Refer to
special instructions/safety data sheets.
WGK (Water Danger/Protection)
CAS# 825-41-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 825-41-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 825-41-2 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

3-氯-4-硝基苯胺 海关数据

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%

3-氯-4-硝基苯胺 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):无

2.氢键供体数量:1

3.氢键受体数量:3

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:71.8

7.重原子数量:11

8.表面电荷:0

9.复杂度:159

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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