N-乙氧羰基-5-硝基邻甲苯胺

N-乙氧羰基-5-硝基邻甲苯胺 基本信息
CAS号 16648-52-5 分子式 C10H12N2O4
分子量 224.21300 精确质量  224.08000
PSA  84.15000 LogP  3.06780

基本信息 展开↓

CAS号:
16648-52-5
3D弹球模型:
立即前往扯扯看
分子式:
C10H12N2O4
分子量:
224.21300
中文名称:
N-乙氧羰基-5-硝基邻甲苯胺
英文名称:
ethyl N-(2-methyl-5-nitrophenyl)carbamate
中文别名:
N-乙氧羰基-5-硝基邻甲苯胺;
(2-甲基-5-硝基苯基)氨基甲酸乙酯
英文别名:
ethyl N-(2-methyl-5-nitrophenyl)carbamate;
Ethyl 2-methyl-5-nitrophenylcarbamate;
N-Ethoxycarbonyl-5-nitro-o-toluidine;
N-Carbethoxy-5-nitro-o-toluidine;
N-(5-Nitro-2-methylphenyl)urethan
精确分子量/精确质量:
224.08000
极性分子表面积/PSA:
84.15000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
The Key: AYJFWTBDUMVOBQ-UHFFFAOYSA-N

物化性质展开↓

密度:
1.292g/cm3
熔点:
135ºC
沸点:
297.7ºC at 760 mmHg
闪点:
133.8ºC
折射率:
1.586
蒸汽压:
0.00133mmHg at 25°C
其它信息:

1. 性状:未确定

2. 密度(g/mL,25/4):未确定

3. 相对蒸汽密度(g/mL,空气=1未确定

4. 熔点(ºC):135 °C
5. 沸点(ºC,常压):未确定

6. 沸点(ºC,5.2kPa): 未确定

7. 折射率: 未确定

8. 闪点(ºC): 未确定

9. 比旋光度(º): 未确定

10. 自燃点或引燃温度(ºC): 未确定

11. 蒸气压(kPa,25ºC): 未确定

12. 饱和蒸气压(kPa,60ºC): 未确定

13. 燃烧热(KJ/mol):未确定

14. 临界温度(ºC): 未确定

15. 临界压力(KPa): 未确定

16. 油水(辛醇/水)分配系数的对数值: 未确定

17. 爆炸上限(%,V/V):未确定

18. 爆炸下限(%,V/V): 未确定

19. 溶解性:未确定

安全信息展开↓

海关代码:
2924299090

合成路线查看所有的合成路线

  • 7745-93-9

    2-溴-4-硝基甲苯

  • +

  • 51-79-6

    氨基甲酸乙酯

  • ~99%

  • 16648-52-5

    N-乙氧羰基-5-硝基邻甲苯胺

  • 95-53-4

    邻甲苯胺

  • 16648-52-5

    N-乙氧羰基-5-硝基邻甲苯胺

  • 99-55-8

    2-氨基-4-硝基甲苯

  • 16648-52-5

    N-乙氧羰基-5-硝基邻甲苯胺

化学图谱

  1. N-乙氧羰基-5-硝基邻甲苯胺红外图谱(IR1)

  2. N-乙氧羰基-5-硝基邻甲苯胺质谱(MS)

  3. N-乙氧羰基-5-硝基邻甲苯胺Raman光谱

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MSDS 展开↓


Section I.Chemical Product and Company Identification
    Chemical Name N-Ethoxycarbonyl-5-nitro-o-toluidine
    Portland OR
    Synonym        Carbamic acid, (2-methyl-5-nitrophenyl)-,    
    ethyl ester (9CI); Ethyl 2-Methyl-5-nitrophenylcarbamate;
    N-(5-Nitro-2-methylphenyl)urethan;
    N-Carbethoxy-5-nitro-o-toluidine
    Chemical Formula        C10H12N2O4    
    CAS Number        16648-52-5    

Section II.        Composition and Information on Ingredients    
    Toxicology Data
    Chemical Name        CAS Number Percent (%)        TLV/PEL    
    16648-52-5 Min. 96.0 (GC) Not available.        Not available.    
    N-Ethoxycarbonyl-5-nitro-o-toluidine

Section III. Hazards Identification
    Acute Health Effects        No specific information is available in our data base regarding the toxic effects of this material for humans. However,    
    exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
    inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling
    this compound.
    Chronic Health Effects        CARCINOGENIC EFFECTS : Not available.    
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Not available.
    Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions.

Section IV.        First Aid Measures    
    Eye Contact        Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least 15    
    minutes. Get medical attention.
    Skin Contact        In case of contact, immediately flush skin with plenty of water. Remove contaminated clothing and shoes. Wash clothing    
    before reuse. Thoroughly clean shoes before reuse. Get medical attention.
    If the victim is not breathing, perform mouth-to-mouth resuscitation. Loosen tight clothing such as a collar, tie, belt or
    Inhalation
    waistband. If breathing is difficult, oxygen can be administered. Seek medical attention if respiration problems do not
    improve.
    INDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat.
    Ingestion
    Loosen tight clothing such as a collar, tie, belt or waistband. If the victim is not breathing, perform mouth-to-mouth
    resuscitation. Examine the lips and mouth to ascertain whether the tissues are damaged, a possible indication that the toxic
    material was ingested; the absence of such signs, however, is not conclusive.

Section V.        Fire and Explosion Data    
    Not available.
    May be combustible at high temperature.        Auto-Ignition    
    Flammability
    Flash Points        Flammable Limits        Not available.    
    Not available.
    These products are toxic carbon oxides (CO, CO2), nitrogen oxides (NO, NO2).
    Combustion Products
    Fire Hazards        Not available.    
    Risks of explosion of the product in presence of mechanical impact: Not available.
    Explosion Hazards
    Risks of explosion of the product in presence of static discharge: Not available.
    Fire Fighting Media
    SMALL FIRE: Use DRY chemical powder.
    LARGE FIRE: Use water spray, fog or foam. DO NOT use water jet.
    and Instructions
    Consult with local fire authorities before attempting large scale fire-fighting operations.
    Continued on Next Page
    N-Ethoxycarbonyl-5-nitro-o-toluidine

Section VI.        Accidental Release Measures    
    Spill Cleanup        Use a shovel to put the material into a convenient waste disposal container. Finish cleaning the spill by rinsing any    
    contaminated surfaces with copious amounts of water. Consult federal, state, and/or local authorities for assistance on
    Instructions
    disposal.

Section VII. Handling and Storage
    Handling and Storage        Keep away from heat. Mechanical exhaust required. When not in use, tightly seal the container and store in a dry, cool    
    place. Avoid excessive heat and light. Do not breathe dust.
    Information
    Always store away from incompatible compounds such as oxidizing agents.

Section VIII. Exposure Controls/Personal Protection
    Use process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below recommended
    Engineering Controls
    exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to airborne contaminants
    below the exposure limit.
    Splash goggles. Lab coat. Dust respirator. Boots. Gloves. Suggested protective clothing might not be sufficient; consult a
    Personal Protection
    specialist BEFORE handling this product. Be sure to use a MSHA/NIOSH approved respirator or equivalent.
    Exposure Limits        Not available.    

Section IX. Physical and Chemical Properties
    Solid. (Light yellow crystal.)        Solubility    
    Physical state @ 20°C        Soluble in hot methanol.    
    Not available.
    Specific Gravity
    224.21
    Molecular Weight        Partition Coefficient        Not available.    
    Boiling Point        Not available.        Vapor Pressure        Not applicable.    
    135°C (275°F)        Not available.    
    Melting Point        Vapor Density    
    Not available.        Volatility        Not available.    
    Refractive Index
    Not available.
    Critical Temperature        Not available.        Odor    
    Viscosity        Not available.        Taste        Not available.    

Section X.        Stability and Reactivity Data    
    Stability    
This material is stable if stored under proper conditions. (See Section VII for instructions)    
    Conditions of Instability        Avoid excessive heat and light.    
    Incompatibilities
    Reactive with oxidizing agents.

Section XI. Toxicological Information
    Not available.
    RTECS Number
    Routes of Exposure        Eye Contact. Ingestion. Inhalation.    
    Not available.
    Toxicity Data
    Chronic Toxic Effects        CARCINOGENIC EFFECTS : Not available.    
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Not available.
    Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions.
    Acute Toxic Effects        No specific information is available in our data base regarding the toxic effects of this material for humans. However,    
    exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
    inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling this
    compound.

Section XII.        Ecological Information    
    Not available.
    Ecotoxicity
    Not available.
    Environmental Fate
    Continued on Next Page
    N-Ethoxycarbonyl-5-nitro-o-toluidine

Section XIII. Disposal Considerations
    Waste Disposal        Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a    
    combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all
    federal, state and local regulations when disposing of the substance.

Section XIV. Transport Information
    Not a DOT controlled material (United States).
    DOT Classification
    PIN Number        Not applicable.    
    Proper Shipping Name        Not applicable.    
    Packing Group (PG)        Not applicable.    
    DOT Pictograms

Section XV. Other Regulatory Information and Pictograms
    TSCA Chemical Inventory        This product is NOT on the EPA Toxic Substances Control Act (TSCA) inventory. The following notices are required by 40    
    CFR 720.36 (C) for those products not on the inventory list:
    (EPA)
    (i) These products are supplied solely for use in research and development by or under the supervision of a technically
    qualified individual as defined in 40 CFR 720.0 et sec.
    (ii) The health risks of these products have not been fully determined. Any information that is or becomes available will be
    supplied on an MSDS sheet.
    WHMIS Classification        Not controlled under WHMIS (Canada).    
    (Canada)
    EINECS Number (EEC)        Not available.    
    EEC Risk Statements        Not available.    


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2924299090

概述:
2924299090. 其他环酰胺(包括环氨基甲酸酯)(包括其衍生物以及他们的盐). 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 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, 包装
摘要/Summary:
2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

分子结构与计算化学数据展开↓

分子结构数据


1、   摩尔折射率:58.27

2、   摩尔体积(m3/mol):173.5

3、   等张比容(90.2K):463.5

4、   表面张力(dyne/cm):50.9

5、   极化率10-24cm3):23.10

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:1

3.氢键受体数量:4

4.可旋转化学键数量:3

5.互变异构体数量:2

6.拓扑分子极性表面积84.2

7.重原子数量:16

8.表面电荷:0

9.复杂度:264

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

上下游相关产品

上游产品

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  • 7745-93-9

    2-溴-4-硝基甲苯

  • 51-79-6

    氨基甲酸乙酯

  • 541-41-3

    氯甲酸乙酯

  • 99-55-8

    2-氨基-4-硝基甲苯

  • 13471-68-6

    2-甲基-5-异氰酸硝基苯

下游产品

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  • 61962-71-8

    ethyl N-(5-amino-2-methylphenyl)carbamate

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