66121-69-5

• 常用中文名：1-甲基-1H-咪唑-4-甲腈
• 常用英文名：1-Methyl-1H-imidazole-4-carbonitrile
• CAS号：66121-69-5
• 分子式：C₅H₅N₃
• 分子量：107.113
• 发布时间：2018-02-26 08:00:00
• 更新时间：2024-01-01 22:03:19

名称

• 中文名: 1-甲基-1H-咪唑-4-甲腈
• 英文名: 1-Methyl-1H-imidazole-4-carbonitrile
• 英文别名: 1-Methyl-1H-imidazole-4-carbonitrile; 1H-Imidazole-4-carbonitrile, 1-methyl-; 1-methylimidazole-4-carbonitrile

物化性质

• 密度: 1.1±0.1 g/cm3
• 沸点: 314.1±15.0 °C at 760 mmHg
• 熔点: 76ºC
• 分子式: C₅H₅N₃
• 分子量: 107.113
• 闪点: 143.8±20.4 °C
• 精确质量: 107.048347
• PSA: 41.61000
• LogP: -0.07
• 蒸汽压: 0.0±0.7 mmHg at 25°C
• 折射率: 1.579
• 储存条件: 室温，干燥

MSDS

Name: 1-Methyl-1H-imidazole-4-carbonitrile Material Safety Data Sheet Synonym: None Known CAS: 66121-69-5 Section 1 - Chemical Product MSDS Name:1-Methyl-1H-imidazole-4-carbonitrile Material Safety Data Sheet Synonym:None Known Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 66121-69-5 1-Methyl-1H-imidazole-4-carbonitrile 97+% unlisted 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. Potential Health Effects Eye: Causes eye irritation. May cause chemical conjunctivitis. Skin: Causes skin irritation. Harmful if absorbed through the skin. May be metabolized to cyanide which in turn acts by inhibiting cytochrome oxidase impairing cellular respiration. Ingestion: Harmful if swallowed. May cause irritation of the digestive tract. Metabolism may release cyanide, which may result in headache, dizziness, weakness, collapse, unconsciousness and possible death. Inhalation: Harmful if inhaled. Causes respiratory tract irritation. May be metabolized to cyanide which in turns act by inhibiting cytochrome oxidase impairing cellular respiration. Chronic: Exposure to small amounts of cyanide compounds over long periods of time is reported to cause loss of appetite, headache, weakness, nausea, dizziness, and symptoms of irritation of the upper respiratory tract and eyes. Section 4 - FIRST AID MEASURES Eyes: Immediately 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. 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: Treat symptomatically and supportively. 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 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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse. Storage: Store in a cool, dry place. Store in a tightly closed container. 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# 66121-69-5: 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: Not available. Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 64 - 66 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: Specific Gravity/Density: Molecular Formula: C5H5N3 Molecular Weight: 107.12 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, dust generation, excess heat. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Hydrogen cyanide, carbon monoxide, oxides of nitrogen, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 66121-69-5 unlisted. LD50/LC50: Not available. Carcinogenicity: 1-Methyl-1H-imidazole-4-carbonitrile - 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 Shipping Name: TOXIC SOLID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2811 Packing Group: III IMO Shipping Name: TOXIC SOLID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2811 Packing Group: III RID/ADR Shipping Name: TOXIC SOLID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2811 Packing group: III 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 22 Do not breathe dust. 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# 66121-69-5: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 66121-69-5 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 66121-69-5 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): Xi
• 海关编码: 2933290090

合成路线

544-92-3 71759-87-0 ~% 66121-69-5

文献：WO2009/70485 A1, ; Page/Page column 117 ; WO 2009/070485 A1

146091-76-1 ~70% 66121-69-5

文献：Subrayan, Ramachandran P.; Thurber, Ernest L.; Rasmussen, Paul G. Tetrahedron, 1994 , vol. 50, # 9 p. 2641 - 2656

79080-32-3 ~39% 66121-69-5

文献：Wakamatsu, Shigeru; Barltrop, John A.; Day, A. Colin Chemistry Letters, 1982 , p. 667 - 670

155372-92-2 ~% 66121-69-5

文献：Tetrahedron, , vol. 50, # 9 p. 2641 - 2656

66121-71-9 ~25% 79080-32-3 66121-69-5 66121-66-2

文献：Journal of the Chemical Society, Chemical Communications, , # 12 p. 604 - 606

616-47-7 143-33-9 ~7% 66121-69-5 66121-66-2 详细

文献：Bulletin of the Chemical Society of Japan, , vol. 60, # 10 p. 3693 - 3696

66121-71-9 ~37% 79080-32-3 66121-69-5

文献：Chemistry Letters, , p. 667 - 670

79080-39-0 ~10% 66121-69-5 45515-45-5

文献：Journal of the Chemical Society, Chemical Communications, , # 12 p. 604 - 606

57090-88-7 74-88-4 ~% 66121-69-5 66121-66-2

文献：Journal of Heterocyclic Chemistry, , vol. 44, # 6 p. 1445 - 1451

海关

海关编码	2933290090
中文概述	2933290090. 其他结构含非稠合咪唑环的化合物. 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	2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%