1785-95-1

• 常用中文名：2-苯甲酰-1,3-茚满二酮
• 常用英文名：1H-Indene-1,3(2H)-dione, 2-benzoyl-
• CAS号：1785-95-1
• 分子式：C₁₆H₁₀O₃
• 分子量：250.24900
• 发布时间：2018-04-24 08:00:00
• 更新时间：2024-01-11 17:16:14

名称

• 中文名: 2-苯甲酰-1,3-茚满二酮
• 英文名: 2-benzoylindene-1,3-dione
• 中文别名: 2-苯甲酰基-1,3-茚二酮
• 英文别名: 2-Benzoyl-indan-1,3-dion; MFCD00051929; 2-benzoyl-2H-indene-1,3-dione; 1,3-Indandione,2-benzoyl; 2-benzoyl-indan-1,3-dione; 2-benzoyl-1,3-indandione; 2-Benzoyl-1,3-indanedione; Benzoylindandione

物化性质

• 密度: 1.327g/cm3
• 沸点: 455.4ºC at 760mmHg
• 熔点: 108-112 °C
• 分子式: C₁₆H₁₀O₃
• 分子量: 250.24900
• 闪点: 200.1ºC
• 精确质量: 250.06300
• PSA: 51.21000
• LogP: 2.56470
• 蒸汽压: 8.98E-09mmHg at 25°C
• 折射率: 1.698
• 储存条件:

  密封贮藏，储存在阴凉、干燥的地方；远离氧化剂

• 稳定性:

  常温常压稳定；可与强化剂反应

• 计算化学:

  1.疏水参数计算参考值（XlogP）:3

  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:2

  5.互变异构体数量:3

  6.拓扑分子极性表面积51.2

  7.重原子数量:19

  8.表面电荷:0

  9.复杂度:382

  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：淡黄色粉末

  2. 密度（g/mL,25 ºC）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：106-109

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,5.2kPa）：未确定

  7. 折射率：未确定

  8. 闪点（ºF）：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,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：对水不可溶

MSDS

Name: 2-Benzoyl-1 3-indanedione 98% Material Safety Data Sheet Synonym: CAS: 1785-95-1 Section 1 - Chemical Product MSDS Name:2-Benzoyl-1 3-indanedione 98% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 1785-95-1 2-Benzoyl-1,3-indanedione 98% unlisted Hazard Symbols: XN Risk Phrases: 22 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Harmful if swallowed. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. May be harmful if absorbed through the skin. Ingestion: Harmful if swallowed. May cause irritation of the digestive tract. 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. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Notes to Physician: 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# 1785-95-1: 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: Powder Color: light yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 108 - 112 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: Insoluble. Specific Gravity/Density: Molecular Formula: C16H10O3 Molecular Weight: 250.25 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 1785-95-1: NK5105000 LD50/LC50: CAS# 1785-95-1: Oral, mouse: LD50 = 350 mg/kg. Carcinogenicity: 2-Benzoyl-1,3-indanedione - Not listed by ACGIH, IARC, or NTP. Other: See actual entry in RTECS for complete information. 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: XN Risk Phrases: R 22 Harmful if swallowed. Safety Phrases: WGK (Water Danger/Protection) CAS# 1785-95-1: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 1785-95-1 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 1785-95-1 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

毒理学数据: 1 、急性毒性：小鼠经口LD50： 350mg/kg； 2、 刺激眼睛、皮肤和粘膜 生态学数据: 对水是稍微危害的，不要让未稀或大量产品进入地下水、水道或污水系统 若无政府许可，勿将材料排入周围环境。 CHEMICAL IDENTIFICATION RTECS NUMBER : NK5105000 CHEMICAL NAME : 1,3-Indandione, 2-benzoyl- CAS REGISTRY NUMBER : 1785-95-1 BEILSTEIN REFERENCE NO. : 2052944 LAST UPDATED : 199612 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C16-H10-O3 MOLECULAR WEIGHT : 250.26 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 350 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : MPHEAE Medicina et Pharmacologia Experimentalis. (Basel, Switzerland) V.12-17, 1965-67. For publisher information, see PHMGBN. Volume(issue)/page/year: 17,497,1967

安全

• 危害码 (欧洲): Xn: Harmful;
• 风险声明 (欧洲): R22
• 安全声明 (欧洲): S22-S36/37
• RTECS号: NK5105000
• 海关编码: 2914399090

海关

海关编码	2914399090
中文概述	2914399090. 其他不含其他含氧基的芳香酮. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:5.5%. 普通关税:30.0%
申报要素	品名, 成分含量, 用途, 丙酮报明包装
Summary	2914399090. other aromatic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%