7206-76-0

• 常用中文名：2-乙基-2-苯基丙二酰胺
• 常用英文名：2-Ethyl-2-phenylmalonamide
• CAS号：7206-76-0
• 分子式：C₁₁H₁₄N₂O₂
• 分子量：206.24100
• 发布时间：2018-02-07 08:00:00
• 更新时间：2024-01-02 20:35:28

名称

• 中文名: 2-乙基-2-苯基丙二酰胺
• 英文名: 2-Ethyl-2-phenylmalonamide
• 英文别名: Aethyl-phenyl-malonsaeure-diamid; Malonamide,2-ethyl-2-phenyl; ethyl-phenyl-malonic acid diamide; Phenylethylmalondiamide; 2-Ethyl-2-phenylmalondiamide; EINECS 230-583-9; Phenylethylmalonamide; Ethylphenylmalondiamide; PEMA; 2-ethyl-2-phenyl-malonamid

物化性质

• 密度: 1.183 g/cm3
• 沸点: 440.9ºC at 760 mmHg
• 熔点: 120ºC
• 分子式: C₁₁H₁₄N₂O₂
• 分子量: 206.24100
• 闪点: 113 °C
• 精确质量: 206.10600
• PSA: 86.18000
• LogP: 1.70560
• 外观性状: 白色结晶粉末
• 储存条件: Refrigerator
• 稳定性: Stable. Combustible. Incompatible with strong oxidizing agents.
• 水溶解性: <0.01 g/100 mL at 18 ºC
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:2

  3.氢键受体数量:2

  4.可旋转化学键数量:4

  5.互变异构体数量:3

  6.拓扑分子极性表面积:86.2

  7.重原子数量:15

  8.表面电荷:0

  9.复杂度:243

  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

MSDS

Name: 2-Ethyl-2-Phenylmalonamide Monohydrate 99% Material Safety Data Sheet Synonym: None CAS: 7206-76-0 Section 1 - Chemical Product MSDS Name:2-Ethyl-2-Phenylmalonamide Monohydrate 99% Material Safety Data Sheet Synonym:None Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 7206-76-0 2-Ethyl-2-Phenylmalonamide Monohydrate 99 230-583-9 Hazard Symbols: None Listed. Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: May cause eye irritation. The toxicological properties of this material have not been fully investigated. Skin: May cause skin irritation. The toxicological properties of this material have not been fully investigated. 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: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Ingestion: Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Extinguishing Media: Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate 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. Clean up spills immediately, observing precautions in the Protective Equipment section. 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. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Storage: Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 7206-76-0: 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 Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 120 deg C Autoignition Temperature: Not available. Flash Point: > 112 deg C (> 233.60 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C11H14N2O2.H2O Molecular Weight: 224.26 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, dust generation, excess heat, strong oxidants. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, oxides of nitrogen, irritating and toxic fumes and gases, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 7206-76-0: RY0820000 LD50/LC50: Not available. Carcinogenicity: 2-Ethyl-2-Phenylmalonamide Monohydrate - 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: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. S 28A After contact with skin, wash immediately with plenty of water. S 37 Wear suitable gloves. S 45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). WGK (Water Danger/Protection) CAS# 7206-76-0: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 7206-76-0 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 7206-76-0 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

CHEMICAL IDENTIFICATION RTECS NUMBER : RY0820000 CHEMICAL NAME : Propanediamide, 2-ethyl-2-phenyl- CAS REGISTRY NUMBER : 7206-76-0 BEILSTEIN REFERENCE NO. : 1966103 LAST UPDATED : 199612 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C11-H14-N2-O2 MOLECULAR WEIGHT : 206.27 HEALTH HAZARD DATA ACUTE TOXICITY DATA MUTATION DATA TYPE OF TEST : Mutation in microorganisms TEST SYSTEM : Bacteria - Salmonella typhimurium DOSE/DURATION : 10 mg/plate REFERENCE : EMMUEG Environmental and Molecular Mutagenesis. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.10- 1987- Volume(issue)/page/year: 11(Suppl 12),1,1988

安全

• 安全声明 (欧洲): S24/25
• 危险品运输编码: NONH for all modes of transport

合成路线

75524-08-2 ~68% 7206-76-0

文献：Lafont; Cave; Menager; Miocque European Journal of Medicinal Chemistry, 1990 , vol. 25, # 1 p. 61 - 66

125-33-7 ~% 7206-76-0

文献：European Journal of Medicinal Chemistry, , vol. 25, # 1 p. 61 - 66

80544-75-8 ~% 7206-76-0

文献：DE310426 ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 13, p. 802

76-67-5 ~% 7206-76-0

文献：Journal fuer Praktische Chemie (Leipzig), , vol. 14, # 1-2 p. 1 - 3

42282-82-6 ~% 7206-76-0

文献：Helvetica Chimica Acta, , vol. 42, p. 2370,2375

50-06-6 ~% 7206-76-0

文献：Arzneimittel Forschung, , vol. 8, p. 44,46 Acta Academiae Aboensis, Series B: Mathematica et Physica, , vol. 20, # 4 p. 1,14 Chem.Abstr., , # 11352

24130-91-4 ~% 7206-76-0

文献：Helvetica Chimica Acta, , vol. 42, p. 2370,2375

125-33-7 ~% 7206-76-0 50-06-6

文献：Arzneimittel-Forschung/Drug Research, , vol. 34, # 12 p. 1753 - 1757

上下游产品

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75524-08-2 125-33-7 80544-75-8 76-67-5
42282-82-6 50-06-6 24130-91-4
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125-33-7