2,4-二溴嘧啶

2,4-二溴嘧啶 基本信息
CAS号 3921-01-5 分子式 C4H2Br2N2
分子量 237.88000 精确质量 　235.85800
PSA 　25.78000 LogP 　2.00160
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目录
基本信息 制备方法与用途 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：
3921-01-5
3D弹球模型：
立即前往扯扯看
分子式：
C4H2Br2N2
分子量：
237.88000
中文名称：
2,4-二溴嘧啶
英文名称：
2,4-Dibromopyrimidine
中文别名：
2,4-二溴嘧啶;
1H-pyrazole-3-carbaldehyde;
1H-Pyrazole-3-carboxaldehyde;
2H-Pyrazole-3-Carbaldehyde;
Pyrazole-3-Carbaldehyde;
PYRIDINIUM N-PROPYL HYDROXY SULFOBETAINE;
Pyridinium hydroxy propyl sulphobetaine;
1-(2-HYDROXY-3-SULFOPROPYL)-PYRIDINIUM BETAINE;
1-(2-hydroxy-3-sulfopropyl)-pyridinium betane;
1-(2-hydroxy-3-sulphonatopropyl)pyridinium;
Pyridinium hydroxypropyl sulfobetaine;
Pyridinium hydroxysulfopropyl betaine;
Pyridinium hydroxy propyl sulfobetaine;
Pyridnium hydroxyl propyl;
2-hydroxy-3-(pyridinium-1-yl)propane-1-sulfonate;
D-(+)-1-Phenylethylamine;
(R)-1-Phenethylamine;
R(+)-1-phenylethylamine;
R-(+)-α-Methylbenzylamine;
1-phenylethanamine;
(1R)-1-phenylethanamine;
(1R)-1-phenylethanaminium;
1-Phenyl-ethylamine;
R(+)-alpha-phenylethylamine;
(R)-1-Phenylethylamine;
D(+)-alpha-Methylbenzylamine;
Propionylerythromycin lauryl sulfate;
Prospiocine;
Roxomicina;
Stellamicina;
Sulfuric acid, monododecyl ester, compd. with erythromycin 2'-propionate (1:1);
UNII-XRJ2P631HP;
Erythromycin, 2'-propanoate, dodecyl sulfate (salt);
Erythromycin, 2'
英文别名：
2,4-Dibromopyrimidine;
2,4-dibromopyrimidine;
2,4-DIBROMOPYRIMIDINE
精确分子量/精确质量：
235.85800
极性分子表面积/PSA：
25.78000
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：
MFCD06798232
InChI：
InChI=1/C4H2Br2N2/c5-3-1-2-7-4(6)8-3/h1-2H

生产制备方法及用途展开↓

制备方法

医药生物化工中间体。

用途简介

物化性质展开↓

密度：
2.197g/cm3
沸点：
316.642ºC at 760 mmHg
闪点：
145.3ºC
折射率：
1.616
存储条件/存储方法：

常温，避光，通风干燥处，密封保存

稳定性相关：

常温常压下稳定

安全信息展开↓

海关代码：
2933599090
危险标志：
Xi

合成路线查看所有的合成路线

  • 4595-60-2

    2-溴嘧啶

  • →

    ~71%

  • 3921-01-5

    2,4-二溴嘧啶

  • 66-22-8

    尿嘧啶

  • →

    ~47%

  • 3921-01-5

    2,4-二溴嘧啶

  • 3934-20-1

    2,4-二氯嘧啶

  • →

    ~32%

  • 3921-01-5

    2,4-二溴嘧啶

毒理性展开↓

生态数据：

通常对水是不危害的，若无政府许可，勿将材料排入周围环境。

MSDS 展开↓

  Material Safety Data Sheet
Section 1. Identification of the substance
  2,4-Dibromopyrimidine
    Product Name:
    Synonyms:
Section 2. Hazards identification
    Harmful by inhalation, in contact with skin, and if swallowed.
    H315:        Causes skin irritation    
    H319:        Causes serious eye irritation    
    H335:        May cause respiratory irritation    
    P261:        Avoid breathing dust/fume/gas/mist/vapours/spray    
    Wear protective gloves/protective clothing/eye protection/face protection
    P280:
    P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
    and easy to do – continue rinsing
    P304+P340:        IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing    
    P405:        Store locked up    
Section 3. Composition/information on ingredients.
    2,4-Dibromopyrimidine
    Ingredient name:
    CAS number:        3921-01-5    
Section 4. First aid measures
    Immediately wash skin with copious amounts of water for at least 15 minutes while removing
    Skin contact:
    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    
    flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
    attention.
    Inhalation:        Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.    
    Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.
    Ingestion:
Section 5. Fire fighting measures
    In the event of a fire 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 qualified    
    in the handling and use of potentially hazardous chemicals, who should take into account the fire,
    health and chemical hazard data given on this sheet.
    Storage:        Store in closed vessels.    
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 specified
    Appearance:
    Boiling point:        No data    
    Melting point:        No data    
    Flash point:        No data    
    Density:        No data    
    Molecular formula:        C4H2Br2N2    
    Molecular weight:        237.9    
Section 10. Stability and reactivity
    Conditions to avoid: Heat, flames 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

海关数据查看详细

中国海关编码：2933599090

概述：
2933599090. 其他结构上有嘧啶环的化合物(包括其他结构上有哌嗪环的化合物. 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：
2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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：37.81

2、摩尔体积（cm3/mol）：108.2

3、等张比容（90.2K）：296.5

4、表面张力（dyne/cm）：56.3

5、介电常数：无可用的

6、极化率（10-24cm3）：14.99

7、单一同位素质量：235.858458Da

8、标称质量：236Da

9、平均质量：237.8801Da

上下游相关产品

上游产品

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  • 4595-60-2

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  • 66-22-8

    尿嘧啶

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    2,4-二氯嘧啶

下游产品

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  • 25095-48-1

    2,4-diphenylpyrimidine

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    N/A

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