5744-51-4

• 常用中文名：1,5-二甲基-1H-吡唑-3-甲酸乙酯
• 常用英文名：Ethyl 1,5-dimethyl-1H-pyrazole-3-carboxylate
• CAS号：5744-51-4
• 分子式：C₈H₁₂N₂O₂
• 分子量：168.19
• 发布时间：2018-12-17 19:20:31
• 更新时间：2024-01-09 15:36:24
• 1,5-二甲基-1H-吡唑-3-羧酸乙酯是一种生物化学试剂,可作为生物材料或有机化合物用于生命科学相关研究。

名称

• 中文名: 1,5-二甲基-1H-吡唑-3-甲酸乙酯
• 英文名: Ethyl 1,5-dimethyl-1H-pyrazole-3-carboxylate
• 中文别名: 1,5-二甲基-1H-吡唑-3-羧酸乙酯; 1,5-二甲基吡唑-3-甲酸乙酯; 1,5-二甲基吡唑-3-羧酸乙酯; 1,5-二甲基-1H-吡唑-5-羧酸乙酯
• 英文别名: MFCD00085071; Ethyl 1,5-dimethyl-1H-pyrazole-3-carboxylate; ethyl 1,5-dimethylpyrazole-3-carboxylate; 1,5-dimethyl-3-ethoxycarbonylpyrazole; 1H-Pyrazole-3-carboxylic acid, 1,5-dimethyl-, ethyl ester

物化性质

• 密度: 1.1±0.1 g/cm3
• 沸点: 258.8±20.0 °C at 760 mmHg
• 熔点: 39-41°C
• 分子式: C₈H₁₂N₂O₂
• 分子量: 168.19
• 闪点: 110.3±21.8 °C
• 精确质量: 168.089874
• PSA: 44.12000
• LogP: 0.94
• 外观性状: 固体;Light orange to Yellow to Green powder to crystal
• 蒸汽压: 0.0±0.5 mmHg at 25°C
• 折射率: 1.522
• 储存条件: 存放于惰性气体之中;避免湿气 (分解)
• 分子结构:

  1、 摩尔折射率：45.55

  2、 摩尔体积（cm³/mol）：149.4

  3、 等张比容（90.2K）：364.5

  4、 表面张力（dyne/cm）：35.4

  5、 极化率（10-24cm3）：18.06

• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.2

  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44.1

  7.重原子数量:12

  8.表面电荷:0

  9.复杂度:172

  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.熔点（760 mmHg,ºC）：39-41

  2.沸点（10 mm Hg,ºC）：154

生物活性

• 描述: 1,5-二甲基-1H-吡唑-3-羧酸乙酯是一种生物化学试剂,可作为生物材料或有机化合物用于生命科学相关研究。
• 相关类别:
  研究领域 >> 其他
  信号通路 >> 其他 >> 其他

MSDS

Name: Ethyl 1 5-dimethyl-1H-pyrazole-3-carboxylate tech Material Safety Data Sheet Synonym: CAS: 5744-51-4 Section 1 - Chemical Product MSDS Name:Ethyl 1 5-dimethyl-1H-pyrazole-3-carboxylate tech Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 5744-51-4 Ethyl 1,5-dimethyl-1H-pyrazole-3-carbo unlisted Hazard Symbols: None Listed. Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Not available. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: May cause respiratory tract irritation. May be harmful if inhaled. Chronic: Not available. Section 4 - FIRST AID MEASURES Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Get medical aid. Wash mouth out with water. Inhalation: Remove from exposure and move to fresh air immediately. Notes to Physician: Treat symptomatically and supportively. Section 5 - FIRE FIGHTING MEASURES General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Vacuum or sweep up material and place into a suitable disposal container. Section 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Storage: Store in a cool, dry place. Store in a tightly closed container. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 5744-51-4: Personal Protective Equipment Eyes: Not available. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Solid Color: colorless Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 154 deg C @10mmHg Freezing/Melting Point: 39 - 41 deg C Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C8H12N2O2 Molecular Weight: 168 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Oxidizing agents, reducing agents, bases, amines. Hazardous Decomposition Products: Hydrogen cyanide, nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 5744-51-4 unlisted. LD50/LC50: Not available. Carcinogenicity: Ethyl 1,5-dimethyl-1H-pyrazole-3-carboxylate - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA No information available. IMO No information available. RID/ADR No information available. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 5744-51-4: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 5744-51-4 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 5744-51-4 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 符号: GHS07
• 信号词: Warning
• 危害声明: H302
• 危害码 (欧洲): Xi
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S26-S36/37/39
• 危险品运输编码: NONH for all modes of transport
• 海关编码: 2933199090

合成路线

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文献：Australian Journal of Chemistry, , vol. 36, # 1 p. 135 - 147

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文献：Chemische Berichte, , vol. 59, p. 1299

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文献：Journal of Heterocyclic Chemistry, , vol. 36, # 1 p. 217 - 220

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文献：Seubert, Christoph K.; Sun, Yu; Lan, Yanhua; Powell, Annie K.; Thiel, Werner R. European Journal of Inorganic Chemistry, 2011 , # 11 p. 1768 - 1775

海关

海关编码	2933199090
中文概述	2933199090. 其他结构上有非稠合吡唑环化合物. 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	2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%