110811-31-9

• 常用中文名：4-溴-1H-吲哚-3-羧酸
• 常用英文名：4-Bromo-1H-indole-3-carboxylic acid
• CAS号：110811-31-9
• 分子式：C₉H₆BrNO₂
• 分子量：240.053
• 发布时间：2018-08-31 15:08:32
• 更新时间：2024-01-16 15:38:32

名称

• 中文名: 4-溴-1H-吲哚-3-羧酸
• 英文名: 4-bromo-1H-indole-3-carboxylic acid
• 中文别名: 4-溴-1-叔丁氧羰基-1H-吲哚-3-羧酸
• 英文别名: 3-Carboxy-4-bromo-1H-indole; 4-Bromo-1H-indole-3-carboxylic acid; 1H-Indole-3-carboxylicacid,4-bromo; 4-bromoindole-3-carboxylic acid; 4-bromo1H-indole-3-carboxylic acid; 1H-Indole-3-carboxylic acid, 4-bromo-; 4-bromo-3-indolecarboxylic acid

物化性质

• 密度: 1.8±0.1 g/cm3
• 沸点: 470.9±25.0 °C at 760 mmHg
• 熔点: 137-138ºC
• 分子式: C₉H₆BrNO₂
• 分子量: 240.053
• 闪点: 238.6±23.2 °C
• 精确质量: 238.958176
• PSA: 53.09000
• LogP: 2.76
• 外观性状: 黄色至棕色固体
• 蒸汽压: 0.0±1.2 mmHg at 25°C
• 折射率: 1.749
• 储存条件: 室温， 密封， 干燥

MSDS

Name: 4-Bromo-1-(tert-butoxycarbonyl)-1H-indole-3-carboxylic acid Material Safety Data Sheet Synonym: CAS: 110811-31-9 Section 1 - Chemical Product MSDS Name:4-Bromo-1-(tert-butoxycarbonyl)-1H-indole-3-carboxylic acid Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 110811-31-9 4-Bromo-1-(tert-butoxycarbonyl)-1H-ind 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. 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. 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: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Storage: Store in a cool, dry place. Store in a tightly closed container. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 110811-31-9: 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: White Odor: Characteristic odour pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 154 - 156 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: C14H14BrNO4 Molecular Weight: 340.18 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents, strong acids, strong bases. Hazardous Decomposition Products: Carbon monoxide, oxides of nitrogen, carbon dioxide, hydrogen bromide, bromine. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 110811-31-9 unlisted. LD50/LC50: Not available. Carcinogenicity: 4-Bromo-1-(tert-butoxycarbonyl)-1H-indole-3-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: 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# 110811-31-9: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 110811-31-9 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 110811-31-9 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): Xn
• 海关编码: 2933990090

合成路线

1182349-06-9 ~60% 110811-31-9

文献：Urwyler, Stephan; Floersheim, Philipp; Roy, Bernard L.; Koller, Manuel Journal of Medicinal Chemistry, 2009 , vol. 52, # 16 p. 5093 - 5107

98600-34-1 ~85% 110811-31-9

文献：Yamada, Fumio; Somei, Masanori Heterocycles, 1987 , vol. 26, # 5 p. 1173 - 1176

上下游产品

上游产品  2
1182349-06-9 98600-34-1
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101909-43-7

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%