54698-60-1

• 常用中文名：1-苄基-5-甲基-1H-[1,2,3]三唑-4-甲酸
• 常用英文名：1-BENZYL-5-METHYL-1H-[1,2,3]TRIAZOLE-4-CARBOXYLIC ACID
• CAS号：54698-60-1
• 分子式：C₁₁H₁₁N₃O₂
• 分子量：217.22400
• 发布时间：2018-12-18 14:00:26
• 更新时间：2024-04-03 17:39:55

名称

• 中文名: 1-苄基-5-甲基-1H-[1,2,3]三唑-4-甲酸
• 英文名: 1-Benzyl-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
• 中文别名: 1-苄基-5-甲基-1H-[1,2,3]噻唑-4-羧酸
• 英文别名: 1-benzyl-5-methyltriazole-4-carboxylic acid

物化性质

• 密度: 1.3 g/cm3
• 沸点: 455ºC at 760 mmHg
• 熔点: 170ºC
• 分子式: C₁₁H₁₁N₃O₂
• 分子量: 217.22400
• 闪点: 228.9ºC
• 精确质量: 217.08500
• PSA: 68.01000
• LogP: 1.33300
• 折射率: 1.636

MSDS

Name: 1-Benzyl-5-methyl-1H-[1 2 3-]triazole-4-carboxylic acid Material Safety Data Sheet Synonym: CAS: 54698-60-1 Section 1 - Chemical Product MSDS Name:1-Benzyl-5-methyl-1H-[1 2 3-]triazole-4-carboxylic acid Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 54698-60-1 1-Benzyl-5-methyl-1H-[1,2,3-]triazole- 97+% unlisted Hazard Symbols: F Risk Phrases: 11 20/21/22 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Highly flammable. Harmful by inhalation, in contact with skin and if swallowed. Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. Harmful if absorbed through the skin. Ingestion: Harmful if swallowed. May cause irritation of the digestive tract. Inhalation: Harmful if inhaled. Causes respiratory tract irritation. Chronic: Not available. 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. Ingestion: Get medical aid. 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: 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. Exposure to heat may promote violent decomposition. Flammable solid. 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. Section 7 - HANDLING and STORAGE Handling: Use spark-proof tools and explosion proof equipment. Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Storage: Keep away from sources of ignition. Store in a cool, dry place. Store in a tightly closed container. Flammables-area. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate general or local explosion-proof ventilation to keep airborne levels to acceptable levels. Exposure Limits CAS# 54698-60-1: Personal Protective Equipment Eyes: Not available. 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: 169 - 170 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: C11H11N3O2 Molecular Weight: 217.23 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: High temperatures, incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents, strong bases, amines. Hazardous Decomposition Products: Carbon monoxide, oxides of nitrogen, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 54698-60-1 unlisted. LD50/LC50: Not available. Carcinogenicity: 1-Benzyl-5-methyl-1H-[1,2,3-]triazole-4-carboxylic acid - 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: FLAMMABLE SOLID, TOXIC, ORGANIC, N.O.S.* Hazard Class: 4.1 (6.1) UN Number: 2926 Packing Group: III IMO Shipping Name: FLAMMABLE SOLID, TOXIC, ORGANIC, N.O.S. Hazard Class: 4.1 (6.1) UN Number: 2926 Packing Group: III RID/ADR Shipping Name: FLAMMABLE SOLID, TOXIC, ORGANIC, N.O.S. Hazard Class: 4.1 (6.1) UN Number: 2926 Packing group: III Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: F Risk Phrases: R 11 Highly flammable. 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 16 Keep away from sources of ignition - No smoking. 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# 54698-60-1: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 54698-60-1 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 54698-60-1 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 海关编码: 2933990090

合成路线

590-93-2 622-79-7 ~68% 54698-60-1

文献：Zheng, Hongchao; McDonald, Robert; Hall, Dennis G. Chemistry - A European Journal, 2010 , vol. 16, # 18 p. 5454 - 5460

133992-58-2 ~% 54698-60-1

文献：European journal of medicinal chemistry, , vol. 38, # 11-12 p. 983 - 990

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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%