2-溴-6-甲基-4-硝基苯胺

2-溴-6-甲基-4-硝基苯胺 基本信息
CAS号 102170-56-9 分子式 C7H7BrN2O2
分子量 231.04700 精确质量 　229.96900
PSA 　71.84000 LogP 　3.35230
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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：
102170-56-9
3D弹球模型：
立即前往扯扯看
分子式：
C7H7BrN2O2
分子量：
231.04700
中文名称：
2-溴-6-甲基-4-硝基苯胺
英文名称：
2-BROMO-6-METHYL-4-NITROANILINE
中文别名：
2-溴-6-甲基-4-硝基苯胺;
2-Methyl-4-nitro-6-bromoaniline
英文别名：
2-BROMO-6-METHYL-4-NITROANILINE;
6-Brom-4-nitro-o-toluidin;
2-amino-3-bromo-5-nitrotoluene;
2-bromo-6-methyl-4-nitro-aniline;
Benzenamine,2-bromo-6-methyl-4-nitro;
m-Brom-m-nitro-o-toluidin;
2-Brom-6-methyl-4-nitro-anilin;
3-Brom-5-nitro-2-amino-toluol;
2-bromo-6-methyl-4-nitro-phenylamine
精确分子量/精确质量：
229.96900
极性分子表面积/PSA：
71.84000
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：
MFCD00053089
PubChem：
24884135
InChI：
The Key: DCNWQCOXGLGSRC-UHFFFAOYSA-N

物化性质展开↓

外观与性状：
黄色针状
密度：
1.698 g/cm3
熔点：
180-184ºC
沸点：
366ºC at 760 mmHg
闪点：
175.2ºC
折射率：
1.648
蒸汽压：
1.51E-05mmHg at 25°C
存储条件/存储方法：

 

 密闭于阴凉干燥环境中

稳定性相关：

 

遵照规定使用和储存则不会分解。

其它信息：

1.       性状：无可用

2.       密度（g/mL,25/4℃）：无可用

3.       相对蒸汽密度（g/mL,空气=1）：无可用

4.       熔点（ºC）：180-184

5.       沸点（ºC,常压）：无可用

6.       沸点（ºC,5.2kPa）：无可用

7.       折射率：无可用

8.       闪点（ºC）：无可用

9.       比旋光度（º）：无可用

10.    自燃点或引燃温度（ºC）：无可用

11.    蒸气压（kPa,25ºC）：无可用

12.    饱和蒸气压（kPa,60ºC）：无可用

13.    燃烧热（KJ/mol）：无可用

14.    临界温度（ºC）：无可用

15.    临界压力（KPa）：无可用

16.    油水（辛醇/水）分配系数的对数值：无可用

17.    爆炸上限（%,V/V）：无可用

18.    爆炸下限（%,V/V）：无可用

19.    溶解性：无可用

安全信息展开↓

海关代码：
2921430090
危险类别码：
R20/21/22
安全说明：
S36/37
安全标志：
:
危险标志：
Xi: Irritant;

合成路线查看所有的合成路线

  • 99-52-5

    4-硝基-2-甲苯胺

  • →

    ~91%

  • 102170-56-9

    2-溴-6-甲基-4-硝基苯胺

  • 139291-81-9

    2-methyl-4-nitroaniline hydrochloride

  • →

    ~84%

  • 102170-56-9

    2-溴-6-甲基-4-硝基苯胺

  • 10035-10-6

    氢溴酸

  • +

  • 7722-84-1

    过氧化氢

  • +

  • 99-52-5

    4-硝基-2-甲苯胺

  • →

  • 102170-56-9

    2-溴-6-甲基-4-硝基苯胺

毒理性展开↓

生态数据：

 

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: 2-Bromo-6-methyl-4-nitroaniline Material Safety Data Sheet
Synonym:
CAS: 102170-56-9
Section 1 - Chemical Product   MSDS Name:2-Bromo-6-methyl-4-nitroaniline Material Safety Data Sheet
Synonym:
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
102170-56-9 2-Bromo-6-methyl-4-nitroaniline 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.
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.
Inhalation:
Harmful if inhaled. May cause respiratory tract irritation.
Chronic:
Not available.
Section 4 - FIRST AID MEASURES
  Eyes: 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.
Ingestion:
Get medical aid. 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.
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:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
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# 102170-56-9: 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: off-white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 180-181 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: C7H7BrN2O2
Molecular Weight: 231.05
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide, hydrogen bromide.
Hazardous Polymerization: Has not been reported
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 102170-56-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Bromo-6-methyl-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
No information available.
IMO
No information available.
RID/ADR
No information available.
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 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# 102170-56-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 102170-56-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 102170-56-9 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：2921430090

概述：
2921430090 甲苯胺及其衍生物以及它们的盐. 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, 原产地证据文件及编号(例 附原产地证书, 原产于欧盟的
摘要/Summary：
HS:2921430090 toluidines and their derivatives; salts thereof 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

1、   摩尔折射率：49.54

2、   摩尔体积（m3/mol）：136.0

3、   等张比容（90.2K）：376.7

4、   表面张力（dyne/cm）：58.8

5、   极化率（10-24cm3）：19.64

计算化学数据

1.疏水参数计算参考值（XlogP）:2.1

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:12

8.表面电荷:0

9.复杂度:183

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

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  • 10035-10-6

    氢溴酸

  • 7722-84-1

    过氧化氢

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