99-42-3

(3-硝基-4-羟基苯甲酸甲酯,Methyl 4-hydroxy-3-nitrobenzoate)
3-硝基-4-羟基苯甲酸甲酯
Methyl 4-hydroxy-3-nitrobenzoate
99-42-3
C8H7NO5
197.1449
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:3-硝基-4-羟基苯甲酸甲酯结构式
3-硝基-4-羟基苯甲酸甲酯MOL
66835

名称和标识符

MDLMFCD00014695
InChIKeyGNCWCTBHZCBXGL-UHFFFAOYSA-N
Inchi1S/C8H7NO5/c1-14-8(11)5-2-3-7(10)6(4-5)9(12)13/h2-4,10H,1H3
SMILESO([H])C1C([H])=C([H])C(C(=O)OC([H])([H])[H])=C([H])C=1[N+](=O)[O-]
BRN2115197

别名信息

- 中文别名 -

  • 3-硝基-4-羟基苯甲酸甲酯
  • 4-羟基-3-硝基苯甲酸甲酯
  • 3硝基-4-羟基苯甲酸甲酯

- 英文别名 -

  • Methyl 4-hydroxy-3-nitrobenzoate
  • 4-Hydroxy-3-nitrobenzoic acid methyl ester
  • Methyl 3-nitro-4-hydroxybenzoate
  • C8H7NO5
  • Benzoic acid, 4-hydroxy-3-nitro-, methyl ester
  • Methyl 3-nitro-4-hydroxy toluate
  • GNCWCTBHZCBXGL-UHFFFAOYSA-N
  • 3-NITRO-4-HYDROXYBENZOIC ACID METHYL ESTER
  • AURORA 6897
  • 3-nitro-4-hydroxymethylbenzoate
  • BEN341
  • 4-methoxycarbonyl-2-nitrophenol
  • RARECHEM AL BF 0172
  • DTXSID7059197
  • 99-42-3
  • METHYL 4-HYDRO-3-NITROBENZOATE
  • NSC 28667
  • CS-W010572
  • 3-10-00-00378 (Beilstein Handbook Reference)
  • 4'-acetylbiphenyl-4-carboxylicacid
  • NSC28667
  • AKOS000121332
  • Methyl 4-hydroxy-3-nitrobenzoate
  • 4-Hydroxy-3-nitrobenzoic acid methyl ester
  • Methyl4-Hydroxy-3-nitrobenzoate
  • Z57479406
  • 4-hydroxy-3-nitro-benzoic acid methyl ester
  • AC-25710
  • EINECS 202-755-3
  • SCHEMBL16254547
  • NS00007044
  • m-Nitro-p-oxybenzoesauremethylester
  • I10142
  • BCP21849
  • AS-60895
  • FT-0600310
  • W-100037
  • Methyl 4-hydroxy-3-nitrobenzoate, 98+%
  • EN300-18355
  • NSC-28667
  • SCHEMBL531728
  • 3-Nitro-4-hydroxy-benzoic acid methyl ester
  • AMY24023
  • BRN 2115197
  • 4-(hydroxymethyl)-3-nitrobenzoate
  • Methyl-4-hydroxy-3-nitrobenzoate
  • MFCD00014695
  • STK149384
  • STK149384
  • STK149384
  • ALBB-023272
  • ALBB-023272
  • ALBB-023272
  • DB-080597
  • DB-080597
  • DB-080597

物化性质

实验特性

LogP1.61020
PSA92.35000
折射率1.4476 (estimate)
沸点346.25°C (rough estimate)
熔点74-76°C
闪点141.9 °C
颜色与性状晶体状粉末。
溶解性未确定
密度1.2569 (rough estimate)

计算特性

精确分子量197.03200
氢键供体数量1
氢键受体数量5
可旋转化学键数量2
同位素质量197.032
重原子数量14
复杂度236
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)1.7
互变异构体数量6
表面电荷0
拓扑分子极性表面积92.4

国际标准相关数据

EINECS28667

海关数据

海关编码2918290000
海关数据

中国海关编码:

2918290000

概述:

2918290000 其他含酚基但不含其他含氧基羧酸及其酸酐、酰卤化物、过氧化物和过氧酸及它们的衍生物。监管条件:AB(入境货物通关单,出境货物通关单)。增值税率:17.0%。退税率:9.0%。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

监管条件:

A.入境货物通关单
B.出境货物通关单

检验检疫类别:

R.进口食品卫生监督检验
S.出口食品卫生监督检验

Summary:

HS: 2918290000 other carboxylic acids with phenol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) VAT:17.0% MFN tariff:6.5% General tariff:30.0%

相关文献

专业数据库参考

PubChemId66835

3-硝基-4-羟基苯甲酸甲酯 MSDS

基础信息

  Material Safety Data Sheet

Section 1. Identi?cation of the substance
  Methyl 4-hydroxy-3-nitrobenzoate
    Product Name:
    Synonyms:

Section 2. Hazards identi?cation
    Harmful by inhalation, in contact with skin, and if swallowed.
    H315:        Causes skin irritation    
    H319:        Causes serious eye irritation    
    H335:        May cause respiratory irritation    
    P261:        Avoid breathing dust/fume/gas/mist/vapours/spray    
    Wear protective gloves/protective clothing/eye protection/face protection
    P280:
    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.
    Methyl 4-hydroxy-3-nitrobenzoate
    Ingredient name:
    CAS number:        99-42-3    

Section 4. First aid measures
    Immediately wash skin with copious amounts of water for at least 15 minutes while removing
    Skin contact:
    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    
    ?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.    
    Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.
    Ingestion:

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
    Not speci?ed
    Appearance:
    Boiling point:        No data    
    Melting point:        No data    
    Flash point:        No data    
    Density:        No data    
    Molecular formula:        C8H7NO5    
    Molecular weight:        197.1    

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
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