401566-69-6

• 常用中文名：3-氨基-4-羟基吡啶盐酸盐
• 常用英文名：Ethyl 5,6-dichloronicotinate
• CAS号：401566-69-6
• 分子式：C₈H₇Cl₂NO₂
• 分子量：220.053
• 相关类别： 医药中间体 杂环化合物 吡啶类化合物 羟基吡啶
• 发布时间：2018-04-19 08:00:00
• 更新时间：2024-01-02 14:37:53

名称

• 中文名: 3-氨基-4-羟基吡啶盐酸盐
• 英文名: Ethyl 5,6-Dichloronicotinate
• 中文别名: 5,6-二氯烟酸乙酯
• 英文别名: Ethyl 5,6-dichloronicotinate; 5,6-DICHLORONICOTINIC ACID ETHYL ESTER; 5,6-Dichloropyridine-3-carboxylic Acid Ethyl Ester; 3-Pyridinecarboxylic acid, 5,6-dichloro-, ethyl ester; ethyl 5,6-dichloropyridine-3-carboxylate

物化性质

• 密度: 1.4±0.1 g/cm3
• 沸点: 281.3±35.0 °C at 760 mmHg
• 熔点: 46ºC
• 分子式: C₈H₇Cl₂NO₂
• 分子量: 220.053
• 闪点: 123.9±25.9 °C
• 精确质量: 218.985382
• PSA: 39.19000
• LogP: 2.83
• 蒸汽压: 0.0±0.6 mmHg at 25°C
• 折射率: 1.541
• 储存条件: 室温
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:0

  3.氢键受体数量:3

  4.可旋转化学键数量:3

  5.互变异构体数量:无

  6.拓扑分子极性表面积39.2

  7.重原子数量:13

  8.表面电荷:0

  9.复杂度:189

  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）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：46

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC3mmHg）：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,）：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 5,6-Dichloronicotinic Acid Ethyl Ester Portland OR SynonymEthyl 5,6-Dichloropyridine-3-carboxylate Chemical FormulaC8H7Cl2NO2 CAS NumberNot available. Section II.Composition and Information on Ingredients Chemical NameCAS Number Percent (%)TLV/PELToxicology Data 5,6-Dichloronicotinic Acid Ethyl EsterNot available.---------- Not available.Not available. Section III. Hazards Identification Acute Health EffectsIrritating to eyes and skin on contact. Inhalation causes irritation of the lungs and respiratory system. Inflammation of the eye is characterized by redness, watering, and itching. Skin inflammation is characterized by itching, scaling, reddening, or, occasionally, blistering. Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound. CARCINOGENIC EFFECTS : Not available. Chronic Health Effects 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. InhalationIf the victim is not breathing, perform mouth-to-mouth resuscitation. Loosen tight clothing such as a collar, tie, belt or waistband. If breathing is difficult, oxygen can be administered. Seek medical attention if respiration problems do not improve. IngestionINDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat. 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 Auto-IgnitionNot available. FlammabilityMay be combustible at high temperature. Flammable Limits Flash PointsNot available. Not available. Combustion ProductsThese products are toxic carbon oxides (CO, CO 2), nitrogen oxides (NO, NO2), halogenated compounds. WARNING: Highly toxic HCl gas is produced during combustion. Fire Hazards Not available. Explosion HazardsRisks of explosion of the product in presence of mechanical impact: Not available. Risks of explosion of the product in presence of static discharge: Not available. Fire Fighting Media SMALL FIRE: Use DRY chemical powder. and InstructionsLARGE FIRE: Use water spray, fog or foam. DO NOT use water jet. Consult with local fire authorities before attempting large scale fire-fighting operations. Continued on Next Page 5,6-Dichloronicotinic Acid Ethyl Ester Section VI.Accidental Release Measures Spill CleanupIrritating Material. InstructionsUse 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 disposal. Section VII. Handling and Storage Handling and StorageIRRITANT. 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 Engineering ControlsUse process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below recommended exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to airborne contaminants below the exposure limit. Personal ProtectionSplash goggles. Lab coat. Dust respirator. Boots. Gloves. Suggested protective clothing might not be sufficient; consult a 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 Solubility Physical state @ 20°CSolid. (White Crystalline Powder)Not available. Not available. Specific Gravity Molecular Weight220.05Partition CoefficientNot available. Boiling PointNot available.Vapor PressureNot applicable. Melting Point46°C (114.8°F)Vapor DensityNot available. Not available.VolatilityNot available. Refractive Index Critical TemperatureOdorNot available. Not available. Not available.Not available. ViscosityTaste Section X.Stability and Reactivity Data This material is stable if stored under proper conditions. (See Section VII for instructions) Stability Conditions of Instability Avoid excessive heat and light. Incompatibilities Reactive with strong oxidizing agents. Section XI. Toxicological Information RTECS NumberNot available. 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. Irritating to eyes and skin on contact. Inhalation causes irritation of the lungs and respiratory system. Inflammation of the Acute Toxic Effects eye is characterized by redness, watering, and itching. Skin inflammation is characterized by itching, scaling, reddening, or, occasionally, blistering. Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound. Continued on Next Page 5,6-Dichloronicotinic Acid Ethyl Ester Section XII.Ecological Information EcotoxicityNot available. Environmental FateNot available. Section XIII. Disposal Considerations Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a Waste Disposal 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 DOT ClassificationNot a DOT controlled material (United States). PIN NumberNot applicable. Proper Shipping Name Not 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 available. (Canada) EINECS Number (EEC) Not available. EEC Risk StatementsR36/37/38- Irritating to eyes, respiratory system and skin. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 风险声明 (欧洲): 36/37/38
• 安全声明 (欧洲): 26-36/37/39
• 海关编码: 2933399090

上下游产品

上游产品  3
64-17-5 41667-95-2 144-55-8
下游产品  2
41667-95-2 401566-70-9

海关

海关编码	2933399090
中文概述	2933399090. 其他结构含非稠合吡啶环的化合物. 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:20.0%
申报要素	品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
Summary	2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%