6843-49-8

• 常用中文名：5-甲基-5-苯基乙内酰脲
• 常用英文名：2,4-Imidazolidinedione,5-methyl-5-phenyl-
• CAS号：6843-49-8
• 分子式：C₁₀H₁₀N₂O₂
• 分子量：190.19900
• 发布时间：2018-03-31 08:00:00
• 更新时间：2024-01-08 06:36:16

名称

• 中文名: 5-甲基-5-苯基乙内酰脲
• 英文名: 5-Methyl-5-phenylhydantoin
• 中文别名: 5-甲基-5-苯海因; 5-甲基-5-苯基海因
• 英文别名: 5-methyl-5-phenylhydantoin; MFCD00005265; EINECS 229-928-6

物化性质

• 密度: 1.138g/cm3
• 熔点: 199-201ºC(lit.)
• 分子式: C₁₀H₁₀N₂O₂
• 分子量: 190.19900
• 精确质量: 190.07400
• PSA: 58.20000
• LogP: 1.39880
• 外观性状: 白色结晶粉末
• 折射率: 1.505
• 储存条件: 室温
• 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:1

  5.互变异构体数量:5

  6.拓扑分子极性表面积58.2

  7.重原子数量:14

  8.表面电荷:0

  9.复杂度:271

  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:1

  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: 5-Methyl-5-phenylhydantoin 99% Material Safety Data Sheet Synonym: 2,4-Imidazolidinedione,5-methyl-5-phenyl CAS: 6843-49-8 Section 1 - Chemical Product MSDS Name:5-Methyl-5-phenylhydantoin 99% Material Safety Data Sheet Synonym:2,4-Imidazolidinedione,5-methyl-5-phenyl Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 6843-49-8 5-methyl-5-phenylhydantoin 99.0 229-928-6 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. Skin: May cause skin irritation. 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 immediately. 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: 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 immediately. 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: Antidote: None reported. 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 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: Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. 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: Keep container closed when not in use. 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# 6843-49-8: 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: white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 199.00 - 201.00 deg C Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: N/A Explosion Limits, upper: N/A Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C10H10N2O2 Molecular Weight: 190.20 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, dust generation, strong oxidants. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 6843-49-8: MU2625500 LD50/LC50: Not available. Carcinogenicity: 5-methyl-5-phenylhydantoin - Not listed by ACGIH, IARC, or NTP. Other: See actual entry in RTECS for complete information. Section 12 - ECOLOGICAL INFORMATION Other No information available. 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# 6843-49-8: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 6843-49-8 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 6843-49-8 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 : MU2625500 CHEMICAL NAME : Hydantoin, 5-methyl-5-phenyl- CAS REGISTRY NUMBER : 6843-49-8 LAST UPDATED : 199706 DATA ITEMS CITED : 2 MOLECULAR FORMULA : C10-H10-N2-O2 MOLECULAR WEIGHT : 190.22 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 500 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : BCPCA6 Biochemical Pharmacology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1958- Volume(issue)/page/year: 5,108,1960 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 560 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 4,723,1954

安全

• 符号: GHS06, GHS08
• 信号词: Danger
• 危害声明: H301 + H311-H332-H370
• 警示性声明: P260-P280-P301 + P310-P307 + P311
• 危害码 (欧洲): Xn
• 安全声明 (欧洲): S24/25
• 危险品运输编码: UN1230 - class 3 - PG 2 - Methanol, solution
• 海关编码: 2933990090
• 闪点（华氏）: 48.2 °F
• 闪点（摄氏）: 9 °C

合成路线

98-86-2 ~% 6843-49-8

文献：Journal fuer Praktische Chemie (Leipzig), , vol. <2> 141, p. 5,23, 40, 42

124-38-9 4355-46-8 ~91% 6843-49-8

文献：Murray, Ross G.; Whitehead, David M.; Le Strat, Franck; Conway, Stuart J. Organic and Biomolecular Chemistry, 2008 , vol. 6, # 6 p. 988 - 991

74-90-8 124-38-9 98-86-2 ~57% 6843-49-8

文献：Murray, Ross G.; Whitehead, David M.; Le Strat, Franck; Conway, Stuart J. Organic and Biomolecular Chemistry, 2008 , vol. 6, # 6 p. 988 - 991

1066-33-7 98-86-2 ~% 6843-49-8

文献：US5270317 A1, ; US 5270317 A

上下游产品

上游产品  5
98-86-2 124-38-9 4355-46-8 74-90-8
1066-33-7
下游产品  6
565-07-1 13398-26-0 726-88-5 6844-34-4
81067-98-3 6326-77-8

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%