17348-71-9

• 常用中文名：苯并呋喃-5-甲酸乙酯
• 常用英文名：ethyl benzofuroxan-5-carboxylate
• CAS号：17348-71-9
• 分子式：C₉H₈N₂O₄
• 分子量：208.17100
• 发布时间：2018-05-12 08:00:00
• 更新时间：2024-04-02 19:11:11

名称

• 中文名: 苯并呋喃-5-甲酸乙酯
• 英文名: ethyl benzofuroxan-5-carboxylate
• 中文别名: 5-(乙氧基羰基)苯并[c][1,2,5]噁二唑 1-氧化物; 苯并呋喃-5-羧酸乙酯
• 英文别名: 5-(ETHOXYCARBONYL)-2,1,3-BENZOXADIAZOL-1-IUM-1-OLATE; BUTTPARK 954-24; benzofuroxan-5-carboxylic acid ethyl ester; MFCD00276595; 5(6)-Ethoxycarbonyl-benzofuroxan; 1-oxy-benzo[1,2,5]oxadiazole-5-carboxylic acid ethyl ester; 5-Ethoxycarbonylbenzofuroxan

物化性质

• 密度: 1.45g/cm3
• 沸点: 335.7ºC at 760mmHg
• 熔点: 66-67ºC
• 分子式: C₉H₈N₂O₄
• 分子量: 208.17100
• 闪点: 156.8ºC
• 精确质量: 208.04800
• PSA: 77.79000
• LogP: 1.43300
• 蒸汽压: 0.000118mmHg at 25°C
• 折射率: 1.621
• 储存条件:

  常温密闭避光，通风干燥

• 稳定性:

  常温常压下稳定

  避免的物料：水分/潮湿
• 分子结构:

  1、 摩尔折射率：50.22

  2、 摩尔体积（m³/mol）：142.6

  3、 等张比容（90.2K）：388.2

  4、 表面张力（dyne/cm）：54.8

  5、 极化率（10^-24cm³）：19.91

• 计算化学:

  1、 氢键供体数量：0

  2、 氢键受体数量：5

  3、 可旋转化学键数量：3

  4、 拓扑分子极性表面积（TPSA）：79.3

  5、 重原子数量：15

  6、 表面电荷：0

  7、 复杂度：248

  8、 同位素原子数量：0

  9、 确定原子立构中心数量：0

  10、 不确定原子立构中心数量：0

  11、 确定化学键立构中心数量：0

  12、 不确定化学键立构中心数量：0

  13、 共价键单元数量：1

• 更多:

  1. 性状：不确定

  2. 密度（g/mL,25/4℃）：不确定

  3. 相对蒸汽密度（g/mL,空气=1）：不确定

  4. 熔点（ºC）：66-67

  5. 沸点（ºC,常压）：不确定

  6. 沸点（ºC, 5.2kPa）：不确定

  7. 折射率：不确定

  8. 闪点（ºC）：不确定

  9. 比旋光度（º）：不确定

  10. 自燃点或引燃温度（ºC）：不确定

  11. 蒸气压（kPa,25ºC）：不确定

  12. 饱和蒸气压（kPa,60ºC）：不确定

  13. 燃烧热（KJ/mol）：不确定

  14. 临界温度（ºC）：不确定

  15. 临界压力（KPa）：不确定

  16. 油水（辛醇/水）分配系数的对数值：不确定

  17. 爆炸上限（%,V/V）：不确定

  18. 爆炸下限（%,V/V）：不确定

  19. 溶解性：不确定

MSDS

Name: 5-(Ethoxycarbonyl)-2 1 3-benzoxadiazol-1-ium-1-olate 97% Material Safety Data Sheet Synonym: Ethyl benzofuroxan-5-carboxylat CAS: 17348-71-9 Section 1 - Chemical Product MSDS Name:5-(Ethoxycarbonyl)-2 1 3-benzoxadiazol-1-ium-1-olate 97% Material Safety Data Sheet Synonym:Ethyl benzofuroxan-5-carboxylat Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 17348-71-9 5-(Ethoxycarbonyl)-2,1,3-benzoxadiazol 97% 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# 17348-71-9: 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: Not available. Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: Not available. 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: C9H8N2O4 Molecular Weight: 208 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Hydrogen cyanide, nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 17348-71-9 unlisted. LD50/LC50: Not available. Carcinogenicity: 5-(Ethoxycarbonyl)-2,1,3-benzoxadiazol-1-ium-1-olate - 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# 17348-71-9: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 17348-71-9 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 17348-71-9 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 通常对水体是稍微有害的，不要将未稀释或大量产品接触地下水，水道或污水系统，未经政府许可勿将材料排入周围环境。

安全

• 危害码 (欧洲): Xi: Irritant;
• 安全声明 (欧洲): S24/25
• 海关编码: 2934999090

合成路线

76918-64-4 ~% 17348-71-9

文献：Journal of Medicinal Chemistry, , vol. 38, # 10 p. 1786 - 1792

71005-26-0 ~% 17348-71-9

文献：Journal of Medicinal Chemistry, , vol. 11, # 2 p. 305 - 311

上下游产品

上游产品  2
76918-64-4 71005-26-0
下游产品  1
36389-07-8

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%