38512-82-2 (甲基-2-硝基茴香醚,5-Methyl-2-nitroanisole)

CAS号:
38512-82-2
中文名称:
甲基-2-硝基茴香醚
英文名称:
5-Methyl-2-nitroanisole
安全信息:
分子式:
C8H9NO3
分子量:
167.161962270737

甲基-2-硝基茴香醚(38512-82-2)名称与标识符

名称

中文别名:
2-硝基-5-甲基苯甲醚;5-Methyl-2-nitroanisole,certified 标准品;5-甲基-2-硝基苯甲醚;5-甲基-2-硝基茴香醚;甲基-2-硝基茴香醚;2-甲氧基-4-甲基硝基苯;
英文别名:
2-Methoxy-4-methyl-1-nitrobenzene;5-methyl-2-nitroanisole;Benzene,2-methoxy-4-methyl-1-nitro-;5-Methyl-2-nitroanisole1000µg;2-Nitro-5-methylanisole;3-Methoxy-4-nitrotoluene;3-Methyl-6-nitroanisole;NSC 124451;Benzene, 2-methoxy-4-methyl-1-nitro-;2-methoxy-4-methyl-1-nitro-benzene;XCOUVPWGTSKINY-UHFFFAOYSA-N;NSC124451;zlchem 938;5-methyl-2-nitroanisol;2-Methoxy-4-methylnitrobenzene;ZLD0404;2-M;EINECS 253-975-1;InChI=1/C8H9NO3/c1-6-3-4-7(9(10)11)8(5-6)12-2/h3-5H,1-2H;DTXSID80191844;AM803823;PS-3470;ZJ2GD17DGE;SCHEMBL18708433;4-methyl-2-methoxy-1-nitro benzene;NS00030406;Z202487574;2-Methoxy-4-methyl-1-nitrobenzene #;AKOS015842086;38512-82-2;A824178;5-Methyl-2-nitroanisole, 99%;CS-W013237;MFCD00007367;UNII-ZJ2GD17DGE;NSC-124451;AKOS015889419;EN300-194150;SY012839;4-Nitro-3-Methoxytoluene;AB00874;FT-0639478;SCHEMBL425259;2-Methyoxy-4-methyl-1-nitrobenzene;DTXCID20114335;DB-049298;

标识符

MDL:
MFCD00007367
InChIKey:
XCOUVPWGTSKINY-UHFFFAOYSA-N
Inchi:
1S/C8H9NO3/c1-6-3-4-7(9(10)11)8(5-6)12-2/h3-5H,1-2H3
SMILES:
O(C)C1C=C(C)C=CC=1[N+](=O)[O-]

甲基-2-硝基茴香醚(38512-82-2)物化性质

实验特性

  • LogP : 2.43500
  • PSA : 55.05000
  • 折射率 : 1.538
  • 沸点 : 292.0±20.0 °C at 760 mmHg
  • 熔点 : 58-60 °C (lit.)
  • 闪点 : 142.9±23.8 °C
  • 溶解度 : Very 微溶 (0.6 g/L) (25 ºC),
  • 颜色与性状 : No data available
  • 密度 : 1.180±0.06 g/cm3 (20 ºC 760 Torr),

计算特性

  • 精确分子量 : 167.05800
  • 氢键供体数量 : 0
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 1
  • 同位素质量 : 167.058
  • 重原子数量 : 12
  • 复杂度 : 166
  • 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) : 2.1
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 55

甲基-2-硝基茴香醚(38512-82-2)国际标准相关数据

EINECS:
253-975-1

甲基-2-硝基茴香醚(38512-82-2)海关数据

海关编码:
2909309090
海关数据:

中国海关编码:

2909309090

概述:

2909309090 其他芳香醚及其卤化衍生物、磺化、硝化衍生物(包括亚硝化衍生物)。监管条件:无。增值税率:17.0%。退税率:9.0%。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:

2909309090 other aromatic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

甲基-2-硝基茴香醚(38512-82-2)推荐厂家 更多厂家(28)

甲基-2-硝基茴香醚(38512-82-2)相关文献

  • 1. Photochemical nitration by tetranitromethane. Part 36. Adduct formation in the photochemical reactions of 4-fluoroanisole and 4-fluoro-3-methylanisole
    Craig P. Butts,Lennart Eberson,Michael P. Hartshorn,Ward T. Robinson J. Chem. Soc. Perkin Trans. 2 1996 1877

甲基-2-硝基茴香醚(38512-82-2)参考资料

Beilstein:
2092369
PubChem CID:

甲基-2-硝基茴香醚(38512-82-2) MSDS

基础信息

  Material Safety Data Sheet

Section 1. Identi?cation of the substance
    Product Name:      5-Methyl-2-nitroanisole    
    Synonyms:        3-Methoxy-4-nitrotoluene; 2-methoxy-4-methyl-1-nitrobenzene    

Section 2. Hazards identi?cation
    Harmful by inhalation, in contact with skin, and if swallowed.
    H302:        Harmful if swallowed    
    H319:        Causes serious eye irritation    
    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:        5-Methyl-2-nitroanisole    
    CAS number:        38512-82-2    

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.
    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 speci?ed    
    Boiling point:        No data    
    Melting point:        No data    
    Flash point:        No data    
    Density:        No data    
    Molecular formula:        C8H9NO3    
    Molecular weight:        167.2    

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.

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