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7-溴-1H-吲哚-2-甲酸乙酯 | 16732-69-7

7-溴-1H-吲哚-2-甲酸乙酯
Ethyl 7-bromo-1H-indole-2-carboxylate
16732-69-7
C11H10BrNO2
268.106602191925
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:7-溴-1H-吲哚-2-甲酸乙酯结构式
7-溴-1H-吲哚-2-甲酸乙酯MOL
7017885
名称和标识符
MDL MFCD04972046
InChIKey FKIRSCKRJJUCNI-UHFFFAOYSA-N
Inchi 1S/C11H10BrNO2/c1-2-15-11(14)9-6-7-4-3-5-8(12)10(7)13-9/h3-6,13H,2H2,1H3
SMILES BrC1=CC=CC2C=C(C(=O)OCC)NC=21
别名信息
- 中文别名 -
  • 7-溴-1H-吲哚-2-甲酸乙酯
  • 7-溴-2-吲哚羧酸乙酯
- 英文别名 -
  • Ethyl 7-bromoindole-2-carboxylate
  • 7-Bromoindole-2-carboxylic acid ethyl ester
  • Ethyl 7-bromo-1H-indole-2-carboxylate
  • 7-Bromo-1H-indole-2-carboxylic acid ethyl ester
  • 7-Brom-indol-2-carbonsaeure-aethylester
  • 7-Brom-indol-2-carbonsaeureethylester
  • 7-bromo-indole-2-carboxylic acid ethyl ester
  • 7-Bromo-1H-indole-2-carboxylicacidethylester
  • 1H-Indole-2-carboxylic acid, 7-bromo-, ethyl ester
  • PubChem15254
  • FKIRSCKRJJUCNI-UHFFFAOYSA-N
  • CL3469
  • BBL104283
  • STL558483
  • ethyl 7-bromo-1H-indole-2-carboxylate
  • FT-0648929
  • SY040455
  • 16732-69-7
  • sec-butylmethacrylate
  • MFCD04972046
  • GS-6487
  • SCHEMBL1301646
  • PB41177
  • B-8730
  • AC-5215
  • CS-W004711
  • EN300-71865
  • DTXSID30426911
  • A3711
  • AKOS005144075
物化性质
实验特性
LogP 3.10710
PSA 42.09000
折射率 1.646
沸点 394.7°C at 760 mmHg
熔点 No data available
闪点 192.5±22.3 °C
颜色与性状 White to Yellow Solid
密度 1.6±0.1 g/cm3
计算特性
精确分子量 266.98900
氢键供体数量 1
氢键受体数量 2
可旋转化学键数量 3
同位素质量 266.98949g/mol
重原子数量 15
复杂度 247
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) 3.9
拓扑分子极性表面积 42.1
海关数据
海关编码 2933990090
海关数据

中国海关编码:

2933990090

概述:

2933990090. 其他仅含氮杂原子的杂环化合物. 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:

2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

专业数据库参考
PubChemId 7017885
7-溴-1H-吲哚-2-甲酸乙酯 MSDS
基础信息
  Material Safety Data Sheet

Section 1. Identi?cation of the substance
    Product Name:      Ethyl 7-bromo-1H-indole-2-carboxylate    
    Synonyms:

Section 2. Hazards identi?cation
    Harmful by inhalation, in contact with skin, and if swallowed.

Section 3. Composition/information on ingredients.
    Ingredient name:        Ethyl 7-bromo-1H-indole-2-carboxylate    
    CAS number:        16732-69-7    

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.
    Store in closed vessels, refrigerated.
    Storage:

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
    Appearance:        Not speci?ed    
    Boiling point:        No data    
    No data
    Melting point:
    Flash point:        No data    
    Density:        No data    
    Molecular formula:        C11H10BrNO2    
    Molecular weight:        268.1    

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

CCOC(=O)C1NC2=C(C=CC=C2Br)C=1

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