16681-56-4

(2-溴-1H-咪唑,2-Bromo-1H-imidazole)
2-溴-1H-咪唑
2-Bromo-1H-imidazole
16681-56-4
C3H3BrN2
146.9733
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:2-溴-1H-咪唑结构式
2-溴-1H-咪唑MOL
24884803

名称和标识符

MDLMFCD02179526
InChIKeyAXHRGVJWDJDYPO-UHFFFAOYSA-N
Inchi1S/C3H3BrN2/c4-3-5-1-2-6-3/h1-2H,(H,5,6)
SMILESBrC1=NC([H])=C([H])N1[H]

别名信息

- 中文别名 -

  • 2-溴-1H-咪唑
  • 2-溴-1H咪唑
  • 2-溴-1H-咪唑,2-Bromo-1H-imidazole
  • 2-溴咪唑
  • 二水氯化亚铁
  • 2-溴咪唑 1G
  • 2-溴-1H-咪唑,97%

- 英文别名 -

  • 2-Bromo-1H-imidazole
  • 2-Bromoimidazole
  • Imidazole,2-bromo- (8CI)
  • RGW 8011
  • mo-1H-imidazole
  • broMo-1H-iMidazole
  • 1H-Imidazole, 2-bromo-
  • 1H-Imidazole,2-bromo-(9CI)
  • 2-Bromo-1H-Imidazole(WX637273)
  • 2-Bromo-1H-imidazole 98%
  • bromoimidazole
  • 2-bromoimidazol
  • PubChem8987
  • zlchem 1065
  • 2-Bromo-1H-imidazole,
  • 2-bromanyl-1H-imidazole
  • KSC176E6B
  • ZLD0531
  • SBB054452
  • FCH949766
  • STL555439
  • BBL101643
  • TD8110
  • VI10220
  • OR10366
  • AB11316
  • HCH
  • 2-BROMO-1H-IMIDAZOLE
  • FT-0649118
  • AXHRGVJWDJDYPO-UHFFFAOYSA-N
  • 16681-56-4
  • YSWG646
  • AKOS005259951
  • SCHEMBL68370
  • DTXSID40378316
  • AC-28883
  • AM20080475
  • CS-W007461
  • CHEMBL292042
  • BP-21300
  • SY021648
  • 2-AMINO-6-IODO-2-DEOXYGUANOSINE
  • 2-Bromo-1H-imidazole, 97%
  • MFCD02179526
  • EN300-91720
  • PS-3309
  • PB41160
  • A810772
  • ZCI
  • DB-002062
  • imidazole, 2-bromo-
  • 2-bromo imidazole

物化性质

实验特性

LogP1.17220
PSA28.68000
折射率1.602
水溶性Slightly soluble in water.
沸点273.1°C at 760 mmHg
熔点197-202 °C
闪点119 °C
密度1.904

计算特性

精确分子量145.94800
氢键供体数量1
氢键受体数量1
可旋转化学键数量0
同位素质量145.948
重原子数量6
复杂度48.1
同位素原子数量0
确定原子立构中心数量0
不确定原子立构中心数量0
确定化学键立构中心数量0
不确定化学键立构中心数量0
共价键单元数量1
疏水参数计算参考值(XlogP)1.1
互变异构体数量
表面电荷0
拓扑分子极性表面积28.7

海关数据

海关编码2933290090
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

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%

相关文献

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专业数据库参考

PubChemId24884803

2-溴-1H-咪唑 MSDS

基础信息

  Material Safety Data Sheet

Section 1. Identi?cation of the substance
    Product Name:      2-Bromo-1H-imidazole    
    Synonyms:

Section 2. Hazards identi?cation
    Harmful by inhalation, in contact with skin, and if swallowed.
    H302:        Harmful if swallowed    
    H315:        Causes skin irritation    
    H318:        Causes serious eye damage    
    H335:        May cause respiratory irritation    
    P261:        Avoid breathing dust/fume/gas/mist/vapours/spray    
    P280:        Wear protective gloves/protective clothing/eye protection/face protection    
    P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
    and easy to do – continue rinsing

Section 3. Composition/information on ingredients.
    Ingredient name:        2-Bromo-1H-imidazole    
    CAS number:        16681-56-4    

Section 4. First aid measures
    Skin contact:        Immediately wash skin with copious amounts of water for at least 15 minutes while removing    
    contaminated clothing and shoes. If irritation persists, seek medical attention.
    Eye contact:        Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate    
    ?ushing of the eyes by separating the eyelids with ?ngers. If irritation persists, seek medical
    attention.
    Inhalation:        Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.    
    Ingestion:        Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.    

Section 5. Fire ?ghting measures
    In the event of a ?re involving this material, alone or in combination with other materials, use dry
    powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
    should be worn.

Section 6. Accidental release measures
    Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
    standards.
    Respiratory precaution:        Wear approved mask/respirator    
    Hand precaution:        Wear suitable gloves/gauntlets    
    Skin protection:        Wear suitable protective clothing    
    Eye protection:        Wear suitable eye protection    
    Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
    for disposal. See section 12.
    Environmental precautions: Do not allow material to enter drains or water courses.

Section 7. Handling and storage
    Handling:        This product should be handled only by, or under the close supervision of, those properly quali?ed    
    in the handling and use of potentially hazardous chemicals, who should take into account the ?re,
    health and chemical hazard data given on this sheet.
    Storage:        Store in closed vessels, refrigerated.    

Section 8. Exposure Controls / Personal protection
    Engineering Controls: Use only in a chemical fume hood.
    Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
    General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section 9. Physical and chemical properties
    Not speci?ed
    Appearance:
    Boiling point:        No data    
    Melting point:        No data    
    Flash point:        No data    
    Density:        No data    
    Molecular formula:        C3H3BrN2    
    Molecular weight:        147.0    

Section 10. Stability and reactivity
    Conditions to avoid: Heat, ?ames and sparks.
    Materials to avoid: Oxidizing agents.
    Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen bromide.

Section 11. Toxicological information
    No data.

Section 12. Ecological information
    No data.

Section 13. Disposal consideration
    Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
    disposal authority, in accordance with national and regional regulations.

Section 14. Transportation information
    Non-harzardous for air and ground transportation.

Section 15. Regulatory information
    No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
    302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
    Title III, Section 313.


SECTION 16 - ADDITIONAL INFORMATION
N/A

化合物详情(旧版)

SMILES

BrC1=NC=CN1

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