4-羟基-3-三氟甲基苯甲醛

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 上游产品
  • 下游产品

4-羟基-3-三氟甲基苯甲醛 基本信息

中文名称:
4-羟基-3-三氟甲基苯甲醛 
中文别名:
4-羟基-3-三氟甲基苯甲醛;
3-羟基-三氟甲基苯甲醛;
4-羟基-3-(三氟甲基)苯甲醛;
3-三氟甲基-4-羟基苯甲醛 
英文名称:
Benzaldehyde,4-hydroxy-3-(trifluoromethyl)-
英文别名:
4-Hydroxy-3-(trifluoromethyl)benzaldehyde;
4-HYDROXY-3-(TRIFLUOROMETHYL)BENZALDEHYDE;
4-hydroxy-3-trifluoromethylbenzaldehyde 
CAS No.:
220227-98-5
分 子 式:
C8H5F3O2
分 子 量:
190.12
精确分子量:
190.02400
PSA:
37.30000
InChI:
InChI=1/C8H5F3O2/c9-8(10,11)6-3-5(4-12)1-2-7(6)13/h1-4,13H
风险术语:
22-36-43
分子结构式:
SDS:
查看

4-羟基-3-三氟甲基苯甲醛 物化性质

密度:
1.429g/cm3
熔点:
159-163°C
沸点:
224ºC at 760 mmHg
闪点:
89.3ºC
折射率:
1.511
蒸汽压:
0.0626mmHg at 25°C
存储条件/存储方法:

保存方法:密闭,阴凉,通风干燥处

稳定性相关:

避氧化物、空气

其它信息:

1.      性状:浅棕色粉末

4-羟基-3-三氟甲基苯甲醛 安全信息

海关代码:
2913000090
危险标志:
Xi: Irritant;

4-羟基-3-三氟甲基苯甲醛 毒理性

生态数据:

1、其它有害作用:通常对水是稍微危害的,若无政府许可,勿将材料排入周围环境。

4-羟基-3-三氟甲基苯甲醛 MSDS

  Material Safety Data Sheet

Section 1. Identification of the substance
    Product Name:      4-Hydroxy-3-(trifluoromethyl)benzaldehyde    
    Synonyms:

Section 2. Hazards identification
    Harmful by inhalation, in contact with skin, and if swallowed.
    H302:        Harmful if swallowed    
    H317:        May cause an allergic skin reaction    
    H319:        Causes serious eye irritation    
    H411:        Toxic to aquatic life with long lasting effects    
    P273:        Avoid release to the environment    
    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:        4-Hydroxy-3-(trifluoromethyl)benzaldehyde    
    CAS number:        220227-98-5    

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.
    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 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, 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 specified
    Appearance:
    Boiling point:        No data    
    Melting point:        No data    
    Flash point:        No data    
    Density:        No data    
    Molecular formula:        C8H5F3O2    
    Molecular weight:        190.1    

Section 10. Stability and reactivity
    Conditions to avoid: Heat, flames and sparks.
    Materials to avoid: Oxidizing agents.
    Possible hazardous combustion products: Carbon monoxide, hydrogen fluoride.

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

4-羟基-3-三氟甲基苯甲醛 海关数据

中国海关编码:2913000090

概述:
2913000090 品目2912所列产品的其他衍生物〔指卤化,磺化,硝化或亚硝化的衍生物〕. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
HS: 2913000090 halogenated, sulphonated, nitrated or nitrosated derivatives of products of heading 2912 Educational tariff:17.0% Tax rebate rate:9.0% Regulatory conditions:none Most favored nation tariff:5.5% General tariff:30.0%

4-羟基-3-三氟甲基苯甲醛 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):1.9

2.氢键供体数量:1

3.氢键受体数量:5

4.可旋转化学键数量:1

5.互变异构体数量:5

6.拓扑分子极性表面积37.3

7.重原子数量:13

8.表面电荷:0

9.复杂度:190

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

4-羟基-3-三氟甲基苯甲醛 上游产品

4-羟基-3-三氟甲基苯甲醛 下游产品

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