2-溴-4-(三氟甲基)-N-乙酰苯胺

2-溴-4-(三氟甲基)-N-乙酰苯胺 基本信息
CAS号 3823-19-6 分子式 C9H7BrF3NO
分子量 282.05700 精确质量  280.96600
PSA  29.10000 LogP  3.49930

基本信息 展开↓

CAS号:
3823-19-6
3D弹球模型:
立即前往扯扯看
分子式:
C9H7BrF3NO
分子量:
282.05700
中文名称:
2-溴-4-(三氟甲基)-N-乙酰苯胺
英文名称:
2-bromo-N-[4-(trifluoromethyl)phenyl]acetamide
中文别名:
2-溴-4-(三氟甲基)-N-乙酰苯胺;
4-三氟甲基苯基溴代乙酰胺;
4-乙酰氨基-3-溴三氟甲苯;
2-溴-4-(三氟甲基)乙酰苯胺
英文别名:
2-bromo-N-[4-(trifluoromethyl)phenyl]acetamide;
2-Bromo-N-(4-(trifluoromethyl)phenyl)acetamide;
PC8478
精确分子量/精确质量:
280.96600
极性分子表面积/PSA:
29.10000
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。
InChI:
The Key: FEOPWEWRBFPVKW-UHFFFAOYSA-N

物化性质展开↓

密度:
1.666g/cm3
熔点:
144-146ºC
沸点:
346.6ºC at 760mmHg
闪点:
163.4ºC
折射率:
1.541
存储条件/存储方法:

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:
2924299090
危险类别码:
36/37/38
安全说明:
26-36/37/39
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
:

合成路线查看所有的合成路线

  • 22118-09-8

    溴乙酰氯

  • +

  • 455-14-1

    对三氟甲基苯胺

  • 3823-19-6

    2-溴-4-(三氟甲基)-N-乙酰苯胺

  • 455-14-1

    对三氟甲基苯胺

  • +

  • 598-21-0

    溴乙酰溴

  • 3823-19-6

    2-溴-4-(三氟甲基)-N-乙酰苯胺

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
    Product Name:      4-Acetamido-3-bromobenzotrifluoride    
    Synonyms:        N-(2-Bromo-4-(trifluoromethyl)phenyl)acetamide; N-(2-bromo-4-trifluoromethylphenyl)acetamide;    
    N-acetyl-2-bromo-4-trifluoromethylaniline

Section 2. Hazards identification
    Harmful by inhalation, in contact with skin, and if swallowed.

Section 3. Composition/information on ingredients.
    Ingredient name:        4-Acetamido-3-bromobenzotrifluoride    
    3823-19-6
    CAS number:

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    
    flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
    attention.
    Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
    Inhalation:
    Ingestion:        Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.    

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
    Appearance:        Not specified    
    No data
    Boiling point:
    Melting point:        No data    
    Flash point:        No data    
    Density:        No data    
    Molecular formula:        C9H7BrF3NO    
    Molecular weight:        282.1    

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 fluoride, 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:2924299090

概述:
2924299090. 其他环酰胺(包括环氨基甲酸酯)(包括其衍生物以及他们的盐). 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:30.0%
申报要素:
品名, 成分含量, 用途, 包装
摘要/Summary:
2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

分子结构与计算化学数据展开↓

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:4

4.可旋转化学键数量:2

5.互变异构体数量:3

6.拓扑分子极性表面积29.1

7.重原子数量:15

8.表面电荷:0

9.复杂度:224

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

上游产品

更多
  • 455-14-1

    对三氟甲基苯胺

  • 598-21-0

    溴乙酰溴

  • 22118-09-8

    溴乙酰氯

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便