2654-58-2

• 常用中文名：4,4-二甲基菲尼酮
• 常用英文名：4,4-Dimethyl-1-phenyl-3-pyrazolidone
• CAS号：2654-58-2
• 分子式：C₁₁H₁₄N₂O
• 分子量：190.242
• 发布时间：2018-03-28 08:00:00
• 更新时间：2024-01-12 07:59:17

名称

• 中文名: 4,4-二甲基菲尼酮
• 英文名: 4,4-dimethyl-1-phenylpyrazolidin-3-one
• 中文别名: 菲尼酮D; 4,4-二甲基-1-苯基-3-吡唑酮
• 英文别名: 4,4-Dimethyl-1-phenyl-3-pyrazolidinone; 4,4-dimethyl-1-phenylpyrazolidin-3-one; 4,4-Dimethyl-1-phenyl-3-pyrazolidone; 1-Phenyl-4,4-dimethyl-3-pyrazolidinon; 3-Pyrazolidinone,4,4-dimethyl-1-phenyl; 3-Pyrazolidinone, 4,4-dimethyl-1-phenyl-; 1-Phenyl-4,4-dimethyl-3-pyrazolidon; 4,4-Dimethylphenidone; 4,4-dimethyl-1-phenyl-pyrazolidin-3-one; EINECS 220-181-1; Dimezone; MFCD00044325

物化性质

• 密度: 1.1±0.1 g/cm3
• 熔点: 167-172 °C(lit.)
• 分子式: C₁₁H₁₄N₂O
• 分子量: 190.242
• 闪点: 195 °C
• 精确质量: 190.110611
• PSA: 32.34000
• LogP: 1.22
• 外观性状: 白色至淡橙色或粉红色结晶粉末
• 折射率: 1.537
• 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。

• 水溶解性: soluble
• 分子结构:

  1、 摩尔折射率：54.64

  2、 摩尔体积（m³/mol）：174.9

  3、 等张比容（90.2K）：430.4

  4、 表面张力（dyne/cm）：36.6

  5、 极化率（10^-24cm³）：21.66

• 计算化学:

  1.疏水参数计算参考值（XlogP）:2.2

  2.氢键供体数量:1

  3.氢键受体数量:2

  4.可旋转化学键数量:1

  5.互变异构体数量:2

  6.拓扑分子极性表面积32.3

  7.重原子数量:14

  8.表面电荷:0

  9.复杂度:231

  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：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）：167-172

  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）：195

  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：可溶于水

MSDS

Name: 4 4-Dimethyl-1-phenyl-3-pyrazolidone 99% Material Safety Data Sheet Synonym: 3-pyrazolidinone, 4,4-dimethyl-1-phenyl CAS: 2654-58-2 Section 1 - Chemical Product MSDS Name:4 4-Dimethyl-1-phenyl-3-pyrazolidone 99% Material Safety Data Sheet Synonym:3-pyrazolidinone, 4,4-dimethyl-1-phenyl Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 2654-58-2 3-pyrazolidinone, 4,4-dimethyl-1-pheny 99 220-181-1 Hazard Symbols: XN Risk Phrases: 20/21/22 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Harmful by inhalation, in contact with skin and if swallowed. Irritating to eyes, respiratory system and skin.The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: Dust may cause mechanical irritation. No information reported. Skin: May cause skin irritation. No information reported. Ingestion: May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. Inhalation: May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Chronic: No information found. 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: Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists. Ingestion: If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid. 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 if cough or other symptoms appear. 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: For small fires, 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. Avoid generating dusty conditions. Section 7 - HANDLING and STORAGE Handling: Wash hands before eating. Use with adequate ventilation. Avoid contact with skin and eyes. Avoid ingestion and inhalation. Storage: Store in a cool, dry, well-ventilated area away from incompatible substances. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels. Exposure Limits CAS# 2654-58-2: 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: Solid Color: white to off-white to pink Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 167.00 - 169.00 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: soluble Specific Gravity/Density: Molecular Formula: C11H14N2O Molecular Weight: 190.24 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Strong oxidants. Incompatibilities with Other Materials: None reported. Hazardous Decomposition Products: No data available. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 2654-58-2: UQ8710000 LD50/LC50: CAS# 2654-58-2: Oral, rat: LD50 = 30 mg/kg. Carcinogenicity: 3-pyrazolidinone, 4,4-dimethyl-1-phenyl- - 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 20/21/22 Harmful by inhalation, in contact with skin and if swallowed. R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 Wear suitable protective clothing, gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 2654-58-2: No information available. Canada CAS# 2654-58-2 is listed on Canada's DSL List. CAS# 2654-58-2 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 2654-58-2 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 试验方法：口服 摄入剂量： 30毫克/千克 测试对象：啮齿动物-鼠 毒性类型：急性 毒性作用： 1.嗜睡（普通抑郁活动） 2.胸部或呼吸受影响 3.腹泻 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。 CHEMICAL IDENTIFICATION RTECS NUMBER : UQ8710000 CHEMICAL NAME : 3-Pyrazolidinone, 4,4-dimethyl-1-phenyl- CAS REGISTRY NUMBER : 2654-58-2 LAST UPDATED : 199806 DATA ITEMS CITED : 2 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 30 mg/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - cyanosis Gastrointestinal - hypermotility, diarrhea REFERENCE : NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0533633

安全

• 危害码 (欧洲): T:Toxic;
• 风险声明 (欧洲): R25;R36/37/38;R43
• 安全声明 (欧洲): S26-S36/37-S45-S37/39-S28A-S24
• 危险品运输编码: UN 2811 6.1/PG 2
• WGK德国: 2
• RTECS号: UQ8710000
• 包装等级: II
• 危险类别: 6.1
• 海关编码: 2933990090

合成路线

41682-84-2 ~% 2654-58-2

文献：Eastman Kodak Co. Patent: US2843598 , 1956 ;

4300-97-4 100-63-0 ~% 2654-58-2

文献：Eastman Kodak Co. Patent: US2772282 , 1953 ;

上下游产品

上游产品  3
41682-84-2 4300-97-4 100-63-0
下游产品  0

海关

海关编码	2933990090
中文概述	2933990090. 其他仅含氮杂原子的杂环化合物. 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, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
Summary	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%