28081-18-7
28081-18-7结构式
- 常用中文名：3-硝基-4-氟查尔酮
- 常用英文名：2-Propen-1-one,1-(4-fluorophenyl)-3-(3-nitrophenyl)-
- CAS号：28081-18-7
- 分子式：C15H10FNO3
- 分子量：271.24300
- 发布时间：2018-03-09 08:00:00
- 更新时间：2025-10-09 21:03:41
| 中文名 | 3-硝基-4-氟查尔酮 |
|---|---|
| 英文名 | 3-Nitro-4'-fluorochalcone1-(4-Fluorophenyl)-3-(3-nitrophenyl)-2-propen-1-one |
| 英文别名 |
3-nitro-4'-fluorochalcone
MFCD00118829 |
| 密度 | 1.317g/cm3 |
|---|---|
| 沸点 | 429.4ºC at 760mmHg |
| 熔点 | 166-167ºC |
| 分子式 | C15H10FNO3 |
| 分子量 | 271.24300 |
| 闪点 | 213.5ºC |
| 精确质量 | 271.06400 |
| PSA | 62.89000 |
| LogP | 4.15320 |
| 蒸汽压 | 1.41E-07mmHg at 25°C |
| 折射率 | 1.634 |
| 储存条件 | 密闭于阴凉干燥环境中 |
| 稳定性 | 遵照规定使用和储存则不会分解。 |
| 分子结构 | 1、 摩尔折射率：73.64 2、 摩尔体积（m3/mol）：205.8 3、 等张比容（90.2K）：553.5 4、 表面张力（dyne/cm）：52.2 5、 极化率（10-24cm3）：29.19 |
| 计算化学 | 1、 疏水参数计算参考值（XlogP）：3.4 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：3 5、 拓扑分子极性表面积（TPSA）：60.2 6、 重原子数量：20 7、 表面电荷：0 8、 复杂度：383 9、 同位素原子数量：0 10、 确定原子立构中心数量：0 11、 不确定原子立构中心数量：0 12、 确定化学键立构中心数量：0 13、 不确定化学键立构中心数量：1 14、 共价键单元数量：1 |
| 更多 | 1. 性状：无可用 2. 密度（g/mL,25/4℃）：无可用 3. 相对蒸汽密度（g/mL,空气=1）：无可用 4. 熔点（ºC）：166-167 5. 沸点（ºC,常压）：无可用 6. 沸点（ºC,5.2kPa）：无可用 7. 折射率：无可用 8. 闪点（ºC）：无可用 9. 比旋光度（º）：无可用 10. 自燃点或引燃温度（ºC）：无可用 11. 蒸气压（kPa,25ºC）：无可用 12. 饱和蒸气压（kPa,60ºC）：无可用 13. 燃烧热（KJ/mol）：无可用 14. 临界温度（ºC）：无可用 15. 临界压力（KPa）：无可用 16. 油水（辛醇/水）分配系数的对数值：无可用 17. 爆炸上限（%,V/V）：无可用 18. 爆炸下限（%,V/V）：无可用 19. 溶解性：无可用 |
Synonym:1-(4-Fluorophenyl)-3-(3-nitrophenyl)-2-propen-1-one Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Irritating to skin. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. Ingestion: May cause irritation of the digestive tract. Inhalation: Causes respiratory tract irritation. Chronic: No information found. Section 4 - FIRST AID MEASURES Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid. Skin: In case of contact, flush skin with plenty of water. Remove contaminated clothing and shoes. Get medical aid if irritation develops and persists. Wash clothing before reuse. Ingestion: If swallowed, do not induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. Get medical aid. Inhalation: If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Notes to Physician: Treat symptomatically and supportively. Section 5 - FIRE FIGHTING MEASURES General Information: Not available. Extinguishing Media: Not available. 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. Avoid generating dusty conditions. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Avoid breathing dust. Storage: Store in a cool, dry, well-ventilated area away from incompatible substances. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 28081-18-7: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166. 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: No data pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 166-167 deg C Autoignition Temperature: Not available. Flash Point: Not applicable. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Insoluble. Specific Gravity/Density: Molecular Formula: C15H10FNO3 Molecular Weight: 271.25 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Dust generation. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide, fluoride fumes. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 28081-18-7 unlisted. LD50/LC50: Not available. Carcinogenicity: 3-Nitro-4'-fluorochalcone - 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: XI Risk Phrases: R 38 Irritating to skin. Safety Phrases: S 37 Wear suitable gloves. WGK (Water Danger/Protection) CAS# 28081-18-7: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 28081-18-7 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 28081-18-7 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
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生态学数据: 该物质对环境可能有危害，对水体应给予特别注意。
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| 危害码 (欧洲) | Xi: Irritant; |
|---|---|
| 风险声明 (欧洲) | 38 |
| 安全声明 (欧洲) | 37 |
| 海关编码 | 2914700090 |
| 海关编码 | 2914700090 |
|---|---|
| 中文概述 | 2914700090 其他酮及醌的卤化、磺化衍生物（包括硝化和亚硝化衍生物）. 增值税率:17.0% 退税率:9.0% 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 | HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0% |