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5-溴-2-甲基-4-硝基-1H-咪唑

  • 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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5-溴-2-甲基-4-硝基-1H-咪唑 基本信息

中文名称：
5-溴-2-甲基-4-硝基-1H-咪唑 
中文别名：
5-溴-2-甲基-4-硝基-1H-咪唑;
5-溴-2-甲基-4-硝基咪唑 
英文名称：
1H-Imidazole,5-bromo-2-methyl-4-nitro-
英文别名：
5-BROMO-2-METHYL-4-NITRO-1H-IMIDAZOLE;
4-bromo-2-methyl-5-nitro-1H-imidazole;
5(4)-bromo-2-methyl-4(5)-nitroimidazole;
4(5)-bromo-2-methyl-5(4)-nitro-1H-imidazole;
2-methyl-4(5)-nitro-5(4)bromoimidazole;
4(5)-bromo-2-methyl-5(4)-nitroimidazole;
5(4)-bromo-2-methyl-4(5)-nitro-1H-imidazole;
4-bromo-2-methyl-5-nitro-3H-imidazole;
5-bromo-2-methyl-4-nitroimidazole 
CAS No.：
18874-52-7
分 子 式：

C4H4BrN3O2

分 子 量：
206
精确分子量：
204.94900
PSA：
74.50000
InChI：
InChI=1/C4H4BrN3O2/c1-2-6-3(5)4(7-2)8(9)10/h1H3,(H,6,7)
危险品标志：

风险术语：

20/21/22-36/37/38

安全术语：
Hazard Codes  Xi
Risk Statements
分子结构式：
SDS：
查看

5-溴-2-甲基-4-硝基-1H-咪唑 物化性质

密度：
1.956g/cm3
熔点：
225ºC (dec.)
沸点：
391ºC at 760mmHg
闪点：
190.3ºC
折射率：
1.638
蒸汽压：
0mmHg at 25°C

5-溴-2-甲基-4-硝基-1H-咪唑 安全信息

海关代码：
2933290090
危险类别码：
R20/21/22
安全说明：
S26
危险标志：
Xi:Irritant;

5-溴-2-甲基-4-硝基-1H-咪唑 MSDS

Name: 5-Bromo-2-methyl-4-nitro-1h-imidazole 97% Material Safety Data Sheet
Synonym:
CAS: 18874-52-7
Section 1 - Chemical Product   MSDS Name:5-Bromo-2-methyl-4-nitro-1h-imidazole 97% Material Safety Data Sheet
Synonym:
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
18874-52-7 5-Bromo-2-methyl-4-nitro-1H-imidazole 97% unlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
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. 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.
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:
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# 18874-52-7: 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: cream
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 225 deg C(decom)
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: C4H4BrN3O2
Molecular Weight: 206
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen bromide, bromine.
Hazardous Polymerization: Has not been reported
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 18874-52-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
5-Bromo-2-methyl-4-nitro-1H-imidazole - 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: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
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# 18874-52-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 18874-52-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 18874-52-7 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

5-溴-2-甲基-4-硝基-1H-咪唑 海关数据

中国海关编码：2933290090

概述：
2933290090. 其他结构含非稠合咪唑环的化合物. 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:20.0%
申报要素：
品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
摘要/Summary：
2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

5-溴-2-甲基-4-硝基-1H-咪唑 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:2

6.拓扑分子极性表面积:74.5

7.重原子数量:10

8.表面电荷:0

9.复杂度:148

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

5-溴-2-甲基-4-硝基-1H-咪唑 上游产品

4-溴-2-甲基咪唑 2-甲基-4(5)硝基咪唑

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