2106-49-2 (3-氯-2-氟硝基苯,1-chloro-2-fluoro-3-nitro-benzene)

CAS号:
2106-49-2
中文名称:
3-氯-2-氟硝基苯
英文名称:
1-chloro-2-fluoro-3-nitro-benzene
分子式:
C6H3ClFNO2
分子量:
175.544924020767

3-氯-2-氟硝基苯(2106-49-2)名称与标识符

名称

中文别名:
3-氯-2-氟硝基苯;1-氯-2-氟-3-硝基苯;2-氟-3-氯硝基苯;3-氯-2-氟硝基苯(易制爆);3-氯-2-氟硝基苯,3-Chloro-2-fluoronitrobenzene;2-氯-6-硝基氟苯;
英文别名:
3-Chloro-2-fluoronitrobenzene;1-Chloro-2-fluoro-3-nitrobenzene;1-CHLORO-2-FLUORO-3-NITRO-BENZENE;2-FLUORO-3-CHLORO-NITROBENZENE;1-Chlor-2-fluor-3-nitro-benzol;3-chloro-2-fluoro-1-nitrobenzene;chlorofluoronitrobenzene;EINECS 218-285-7;5-Chloro-2-fluoroaniline;2-fluoro-3-chloronitrobenzene;Benzene, chlorofluoronitro-;NSC190665;PubChem2483;KSC497I5R;RBAHXNSORRGCQA-UHFFFAOYSA-N;PC063;3-Chloro-2-fluoro-1-;3-Isothiazolecarboxylicacid,5-nitro-;2106-49-2;NSC-190665;MFCD00069417;W-109750;SY015562;AKOS005064071;FT-0602303;3-Chloro-2-fluoro-1-nitro-benzene;DTXSID00175287;CK2367;NS00046101;SCHEMBL107291;CCRIS 9050;AS-19441;CS-W017435;XJ58RN24KX;A20504;2-Fluoro-3-nitrochlorobenzene;3-Chloro-2-fluoro-1-nitrobenzene;5-Chloro-2-fluoroaniline;SB35361;NSC 190665;Chloro-2-fluoronitrobenzene, 3-;Benzene, 1-chloro-2-fluoro-3-nitro-;EN300-3260113;AM20050196;AC-9688;70572-60-0;3-CHLORO-2-FLUORONITROBENZENE,99%;DTXCID2097778;DB-028052;3-Chloro-2-fluoronitrobenzene;2-Fluoro-3-nitrochlorobenzene;

标识符

MDL:
MFCD00069417
InChIKey:
RBAHXNSORRGCQA-UHFFFAOYSA-N
Inchi:
1S/C6H3ClFNO2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H
SMILES:
ClC1=CC=CC(=C1F)[N+](=O)[O-]

3-氯-2-氟硝基苯(2106-49-2)物化性质

实验特性

  • LogP : 2.91050
  • PSA : 45.82000
  • 折射率 : 1.474
  • 水溶性 : Soluble in water.
  • 沸点 : 241.1 °C at 760 mmHg
  • 熔点 : 36-40
  • 闪点 : 99.6℃
  • 密度 : 1.494

计算特性

  • 精确分子量 : 174.98400
  • 氢键供体数量 : 0
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 0
  • 同位素质量 : 174.983634
  • 重原子数量 : 11
  • 复杂度 : 161
  • 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) : 2.5
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 45.8

3-氯-2-氟硝基苯(2106-49-2)国际标准相关数据

EINECS:
9050

3-氯-2-氟硝基苯(2106-49-2)海关数据

海关编码:
2904909090
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

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%

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3-氯-2-氟硝基苯(2106-49-2)相关文献

3-氯-2-氟硝基苯(2106-49-2)参考资料

Beilstein:
MFCD00069417
PubChem CID:

3-氯-2-氟硝基苯(2106-49-2) MSDS

基础信息

  Material Safety Data Sheet

Section 1. Identi?cation of the substance
    Product Name:      1-Chloro-2-?uoro-3-nitrobenzene    
    Synonyms:

Section 2. Hazards identi?cation
    Harmful by inhalation, in contact with skin, and if swallowed.
    H331:        Toxic if inhaled    
    H302:        Harmful if swallowed    
    H312:        Harmful in contact with skin    
    Causes skin irritation
    H315:
    H319:        Causes serious eye irritation    
    H335:        May cause respiratory irritation    
    P261:        Avoid breathing dust/fume/gas/mist/vapours/spray    
    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
    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.
    Ingredient name:        1-Chloro-2-?uoro-3-nitrobenzene    
    CAS number:        2106-49-2    

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.
    Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
    Eye contact:
    ?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.
    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    
    Melting point:        No data    
    Flash point:        No data    
    Density:        No data    
    Molecular formula: C6H3ClFNO2
    Molecular weight: 175.5

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 chloride, hydrogen ?uoride.

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:        UN2810 Class: 6.1 Packing group: III    
    Proper shipping name: TOXIC, LIQUIDS, ORGANIC, N.O.S. OR TOXIC, LIQUIDS, ORGANIC, N.O.S. INHALA-
    TION HAZARD, PACKING GROUP I, ZONE A OR B (1-Chloro-2-?uoro-3-nitrobenzene)

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