195062-62-5

• 常用中文名：4-乙氧羰基苯硼酸频哪醇酯
• 常用英文名：4-Ethoxycarbonylphenylboronic acid pinacol ester
• CAS号：195062-62-5
• 分子式：C₁₅H₂₁BO₄
• 分子量：276.13600
• 相关类别： 化学试剂 有机试剂 酯类 乙酯类化合物
• 发布时间：2018-06-11 17:51:59
• 更新时间：2024-01-02 08:23:07

名称

• 中文名: 4-(4,4,5,5-四甲基-1,3,2-二氧硼戊环-2-基)苯甲酸乙酯
• 英文名: ethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
• 中文别名: 4-乙氧羰基苯硼酸频哪醇酯; 4-乙氧羰基苯硼酸频呢醇酯
• 英文别名: 4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzoic acid ethyl ester; 4-Ethoxycarbonylphenylboronic acid pinacol ester; 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolane-2-yl)benzoic acid ethyl ester; ethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborol-2-yl)benzoate; 2-(4-ethoxycarbonylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; BM037; ethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolyl)benzoate; 4-Carboethoxyphenylboronic acid pinacol ester; MFCD02683499

物化性质

• 密度: 1.052g/mLat25ºC(lit.)
• 沸点: 330ºC(lit.)
• 分子式: C₁₅H₂₁BO₄
• 分子量: 276.13600
• 闪点: >230
• 精确质量: 276.15300
• PSA: 44.76000
• LogP: 2.16250
• 外观性状: 透明淡黄色粘性液体
• 蒸汽压: 1.12E-05mmHg at 25°C
• 折射率: n20/D 1.5(lit.)
• 储存条件:

  保存方法：密闭 4 °C 以下

• 稳定性:

  避氧化物

• 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:4

  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44.8

  7.重原子数量:20

  8.表面电荷:0

  9.复杂度:343

  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：浅黄色的透明粘稠液体

  2. 密度（g/mL）：1.052

  3. 相对蒸汽密度（g/mL,空气=1）未确定

  4. 熔点（ºC）：未确定

  5. 沸点（ºC,常压）：330

  6. 沸点（ºC8mmHg）：未确定

  7. 折射率：n20/D 1.5

  8. 闪点（ºF）：>230

  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

Name: Ethyl 4-(4 4 5 5-tetramethyl-1 3 2-dioxaborolan-2-yl)benzoate Material Safety Data Sheet Synonym: CAS: 195062-62-5 Section 1 - Chemical Product MSDS Name:Ethyl 4-(4 4 5 5-tetramethyl-1 3 2-dioxaborolan-2-yl)benzoate Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 195062-62-5 Ethyl 4-(4,4,5,5-tetramethyl-1,3,2-dio 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: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Section 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Storage: Keep refrigerated. (Store below 4C/39F.) Store in a tightly closed container. Store in a dry area. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 195062-62-5: 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: Viscous liquid Color: colorless Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 330 deg C @760mmHg Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: > 110 deg C (> 230.00 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Insoluble. Specific Gravity/Density: 1.052 Molecular Formula: C15H21BO4 Molecular Weight: 276.14 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide, boron oxides. Hazardous Polymerization: Will not occur. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 195062-62-5 unlisted. LD50/LC50: Not available. Carcinogenicity: Ethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate - 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 Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material. 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# 195062-62-5: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 195062-62-5 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 195062-62-5 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): Xi
• 安全声明 (欧洲): S24/25
• WGK德国: 3
• 海关编码: 2934999090

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海关

海关编码	2934999090
中文概述	2934999090. 其他杂环化合物. 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
Summary	2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%