16648-52-5

• 常用中文名：N-乙氧羰基-5-硝基邻甲苯胺
• 常用英文名：N-ETHOXYCARBONYL-5-NITRO-O-TOLUIDINE
• CAS号：16648-52-5
• 分子式：C₁₀H₁₂N₂O₄
• 分子量：224.21300
• 发布时间：2018-06-02 08:00:00
• 更新时间：2024-01-09 08:14:26

名称

• 中文名: N-乙氧羰基-5-硝基邻甲苯胺
• 英文名: ethyl N-(2-methyl-5-nitrophenyl)carbamate
• 中文别名: (2-甲基-5-硝基苯基)氨基甲酸乙酯
• 英文别名: Ethyl 2-methyl-5-nitrophenylcarbamate; N-Ethoxycarbonyl-5-nitro-o-toluidine; N-Carbethoxy-5-nitro-o-toluidine; N-(5-Nitro-2-methylphenyl)urethan

物化性质

• 密度: 1.292g/cm3
• 沸点: 297.7ºC at 760 mmHg
• 熔点: 135ºC
• 分子式: C₁₀H₁₂N₂O₄
• 分子量: 224.21300
• 闪点: 133.8ºC
• 精确质量: 224.08000
• PSA: 84.15000
• LogP: 3.06780
• 蒸汽压: 0.00133mmHg at 25°C
• 折射率: 1.586
• 储存条件: 室温，干燥
• 分子结构:

  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:

  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

• 更多:

  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

MSDS

Section I.Chemical Product and Company Identification Chemical Name N-Ethoxycarbonyl-5-nitro-o-toluidine Portland OR SynonymCarbamic 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 FormulaC10H12N2O4 CAS Number16648-52-5 Section II.Composition and Information on Ingredients Toxicology Data Chemical NameCAS 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 EffectsNo 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 EffectsCARCINOGENIC 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 ContactCheck 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 ContactIn 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 PointsFlammable LimitsNot available. Not available. These products are toxic carbon oxides (CO, CO2), nitrogen oxides (NO, NO2). Combustion Products Fire HazardsNot 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 CleanupUse 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 StorageKeep 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 LimitsNot available. Section IX. Physical and Chemical Properties Solid. (Light yellow crystal.)Solubility Physical state @ 20°CSoluble in hot methanol. Not available. Specific Gravity 224.21 Molecular WeightPartition CoefficientNot available. Boiling PointNot available.Vapor PressureNot applicable. 135°C (275°F)Not available. Melting PointVapor Density Not available.VolatilityNot available. Refractive Index Not available. Critical TemperatureNot available.Odor ViscosityNot available.TasteNot available. Section X.Stability and Reactivity Data Stability This material is stable if stored under proper conditions. (See Section VII for instructions) Conditions of InstabilityAvoid excessive heat and light. Incompatibilities Reactive with oxidizing agents. Section XI. Toxicological Information Not available. RTECS Number Routes of ExposureEye Contact. Ingestion. Inhalation. Not available. Toxicity Data Chronic Toxic EffectsCARCINOGENIC 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 EffectsNo 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 DisposalRecycle 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 NumberNot applicable. Proper Shipping NameNot applicable. Packing Group (PG)Not applicable. DOT Pictograms Section XV. Other Regulatory Information and Pictograms TSCA Chemical InventoryThis 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 ClassificationNot controlled under WHMIS (Canada). (Canada) EINECS Number (EEC)Not available. EEC Risk StatementsNot available. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 海关编码: 2924299090

合成路线

7745-93-9 51-79-6 ~99% 16648-52-5

文献：Isley, Nicholas A.; Dobarco, Sebastian; Lipshutz, Bruce H. Green Chemistry, 2014 , vol. 16, # 3 p. 1480 - 1488

541-41-3 99-55-8 ~% 16648-52-5

文献：Scientific Proceedings of the Royal Dublin Society, , vol. 17, p. 123 Chem.Abstr., vol. 17, p. 1792

13471-68-6 ~% 16648-52-5

文献：Bulletin de la Societe Chimique de France, , vol. <3>21, p. 588

99-55-8 ~% 16648-52-5

文献：Justus Liebigs Annalen der Chemie, , vol. 268, p. 315 Chemische Berichte, , vol. 23, p. 1817

95-53-4 ~% 16648-52-5

文献：Justus Liebigs Annalen der Chemie, , vol. 268, p. 315 Chemische Berichte, , vol. 23, p. 1817

上下游产品

上游产品  6
7745-93-9 51-79-6 541-41-3 99-55-8
13471-68-6 95-53-4
下游产品  1
61962-71-8

海关

海关编码	2924299090
中文概述	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
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%