89193-16-8

• 常用中文名：5-甲基-1-苯基-1H-吡唑-4-甲酸乙酯
• 常用英文名：ETHYL 5-METHYL-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLATE
• CAS号：89193-16-8
• 分子式：C₁₃H₁₄N₂O₂
• 分子量：230.26200
• 发布时间：2018-12-25 10:44:30
• 更新时间：2024-01-05 15:59:04

名称

• 中文名: 5-甲基-1-苯基-1H-吡唑-4-甲酸乙酯
• 英文名: ethyl 5-methyl-1-phenylpyrazole-4-carboxylate
• 中文别名: 1-苯基-5-甲基-1H-吡唑-4-羧酸乙酯
• 英文别名: MFCD00020741; Ethyl 5-methyl-1-phenyl-1H-pyrazole-4-carboxylate; ethyl 5-methyl-1-phenyl-1H-4-pyrazolecarboxylate; ethyl 5-methyl-1-phenyl-1H-4-pyrazolecarboxylateEthyl 5-methyl-1-phenyl-1H-4-pyrazolecarboxylate; ethoxycarbonyl-4 methyl-5 pyrazole; 5-Methyl-1-Phenyl-1H-Pyrazole-4-Carboxylic Acid Ethyl Ester; 5-Methyl-1-phenyl-1H-pyrazol-4-carbonsaeure-aethylester; EINECS 289-479-7

物化性质

• 密度: 1.13g/cm3
• 沸点: 338.1ºC at 760 mmHg
• 熔点: 47-49ºC
• 分子式: C₁₃H₁₄N₂O₂
• 分子量: 230.26200
• 闪点: 158.3ºC
• 精确质量: 230.10600
• PSA: 44.12000
• LogP: 2.35740
• 外观性状: 白色固体
• 折射率: 1.568
• 储存条件: 2-8°C， 密封， 干燥
• 分子结构:

  1、 摩尔折射率：66.23

  2、 摩尔体积（cm³/mol）：202.4

  3、 等张比容（90.2K）：510.3

  4、 表面张力（dyne/cm）：40.4

  5、 极化率（10-24cm3）：26.25

• 计算化学:

  1.疏水参数计算参考值（XlogP）:2.5

  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:4

  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:17

  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

MSDS

Name: Ethyl 5-methyl-1-phenyl-1H-pyrazole-4-carboxylate 97% Material Safety Data Sheet Synonym: CAS: 89193-16-8 Section 1 - Chemical Product MSDS Name:Ethyl 5-methyl-1-phenyl-1H-pyrazole-4-carboxylate 97% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 89193-16-8 Ethyl 5-methyl-1-phenyl-1H-pyrazole-4- 97% 289-479-7 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# 89193-16-8: 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: white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 51 - 52 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: C13H14N2O2 Molecular Weight: 230 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Oxidizing agents, bases. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 89193-16-8 unlisted. LD50/LC50: Not available. Carcinogenicity: Ethyl 5-methyl-1-phenyl-1H-pyrazole-4-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# 89193-16-8: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 89193-16-8 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 89193-16-8 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): Xn
• 风险声明 (欧洲): 36/37/38
• 安全声明 (欧洲): 26-36/37/39
• 海关编码: 2933199090

合成路线

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89193-19-1

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%