2-甲基-5-硝基三氟甲苯

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

2-甲基-5-硝基三氟甲苯 基本信息

中文名称:
2-甲基-5-硝基三氟甲苯 
中文别名:
2-甲基-5-硝基三氟甲苯;
3-三氟甲基-4-甲基硝基苯;
4-硝基-2-三氟甲基甲苯 
英文名称:
Benzene,1-methyl-4-nitro-2-(trifluoromethyl)-
英文别名:
2-Methyl-5-nitrobenzotrifluoride;
1-methyl-4-nitro-2-(trifluoromethyl)benzene 
CAS No.:
89976-12-5
分 子 式:
C8H6F3NO2
分 子 量:
205.13
精确分子量:
205.03500
PSA:
45.82000
InChI:
InChI=1/C8H6F3NO2/c1-5-2-3-6(12(13)14)4-7(5)8(9,10)11/h2-4H,1H3
危险品标志:
风险术语:
20/21/22-36/37/38
安全术语:
Hazard Codes Xi
Risk Statements 20/21/22-36/37/38
Safety Statements 23-26-36/37/39
Hazard Note Harmful
分子结构式:
SDS:
查看

2-甲基-5-硝基三氟甲苯 物化性质

密度:
1.358 g/cm3
沸点:
220.459ºC at 760 mmHg
闪点:
87.131°C
折射率:
1.476

2-甲基-5-硝基三氟甲苯 安全信息

海关代码:
2904909090
危险类别码:
R20/21/22
安全说明:
23-26-36/37/39
危险标志:
Xi: Irritant;

2-甲基-5-硝基三氟甲苯 MSDS

  Material Safety Data Sheet

Section 1. Identification of the substance
    Product Name:      2-Methyl-5-nitrobenzotrifluoride    
    Synonyms:

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

Section 3. Composition/information on ingredients.
    Ingredient name:        2-Methyl-5-nitrobenzotrifluoride    
    CAS number:        89976-12-5    

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.
    Store in closed vessels.
    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 specified    
    Boiling point:        No data    
    No data
    Melting point:
    Flash point:        No data    
    Density:        No data    
    Molecular formula:        C8H6F3NO2    
    Molecular weight:        205.1    

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.

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
    UN Number:        UN2811 Class: 6.1 Packing group: III    
    Proper shipping name: TOXIC SOLIDS, ORGANIC, N.O.S. (2-Methyl-5-nitrobenzotrifluoride)

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

2-甲基-5-硝基三氟甲苯 海关数据

中国海关编码:2904909090

概述:
2904909090 其他烃的磺化、硝化、亚硝化衍生物(不论是否卤化). 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:2904909090 sulphonated, nitrated or nitrosated derivatives of hydrocarbons, whether or not halogenated VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

2-甲基-5-硝基三氟甲苯 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):无

2.氢键供体数量:0

3.氢键受体数量:5

4.可旋转化学键数量:0

5.互变异构体数量:无

6.拓扑分子极性表面积:45.8

7.重原子数量:14

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

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