53462-88-7

• 常用中文名：3-醛基-1H-吲哚-4-甲酸甲酯
• 常用英文名：Methyl 3-formyl-1H-indole-4-carboxylate
• CAS号：53462-88-7
• 分子式：C₁₁H₉NO₃
• 分子量：203.19400
• 发布时间：2019-01-01 06:57:27
• 更新时间：2024-01-05 17:41:29

名称

• 中文名: 3-醛基-1H-吲哚-4-甲酸甲酯
• 英文名: Methyl 3-formyl-1H-indole-4-carboxylate
• 中文别名: 3-甲酰吲哚-4-羧酸甲酯; 4-甲酸甲酯吲哚-3-甲醛
• 英文别名: 3-FORMYL-1H-INDOLE-4-CARBOXYLIC ACID METHYL ESTER; BB_NC-2048; Methyl 3-formylindole-4-carboxylate; methyl-3-formyl-4-indolecarboxylate; 4-methoxycarbonylindole-3-carboxaldehyde; 3-Formylindole-4-carboxylicacidmethylester

物化性质

• 密度: 1.341 g/cm3
• 沸点: 404.4ºC at 760 mmHg
• 熔点: 134-135 °C
• 分子式: C₁₁H₉NO₃
• 分子量: 203.19400
• 闪点: 198.4ºC
• 精确质量: 203.05800
• PSA: 59.16000
• LogP: 1.76700
• 折射率: 1.677
• 储存条件: 2-8°C， 避光保存， 惰性气氛

MSDS

Material Safety Data Sheet Section1. Identification of the substance Product Name: Methyl 3-formylindole-4-carboxylate Synonyms:Methyl 3-formyl-1H-indole-4-carboxylate Section2. Hazards identification Harmful by inhalation, in contact with skin, and if swallowed. Section3. Composition/information on ingredients. Ingredient name:Methyl 3-formylindole-4-carboxylate CAS number:53462-88-7 Section4. First aid measures Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing contaminated clothing and shoes. If irritation persists, seek medical attention. Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical attention. Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention. Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention. Section5. Fire fighting measures In the event of a fire involving this material, alone or in combination with other materials, use dry powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus should be worn. Section6. Accidental release measures Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national standards. Respiratory precaution:Wear approved mask/respirator Hand precaution:Wear suitable gloves/gauntlets Skin protection:Wear suitable protective clothing Eye protection:Wear suitable eye protection Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container for disposal. See section 12. Environmental precautions: Do not allow material to enter drains or water courses. Section7. Handling and storage Handling:This product should be handled only by, or under the close supervision of, those properly qualified in the handling and use of potentially hazardous chemicals, who should take into account the fire, health and chemical hazard data given on this sheet. Store in closed vessels. Storage: Section8. Exposure Controls / Personal protection Engineering Controls: Use only in a chemical fume hood. Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles. General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse. Section9. Physical and chemical properties Appearance:Not specified Boiling point:No data No data Melting point: Flash point:No data Density:No data Molecular formula:C11H9NO3 Molecular weight:203.2 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides. Section11. Toxicological information No data. Section12. Ecological information No data. Section13. Disposal consideration Arrange disposal as special waste, by licensed disposal company, in consultation with local waste disposal authority, in accordance with national and regional regulations. Section14. Transportation information Non-harzardous for air and ground transportation. Section15. Regulatory information No chemicals in this material are subject to the reporting requirements of SARA Title III, Section 302, or have known CAS numbers that exceed the threshold reporting levels established by SARA Title III, Section 313. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 海关编码: 2933990090

合成路线

39830-66-5 68-12-2 ~60% 53462-88-7

文献：LABORATORIOS DEL DR. ESTEVE, S.A.; DRACONIS PHARMA, S.L.; ALMIRALL, S.A.; TORRENS JOVER, Andoni; MERCÈ VIDAL, Ramon; CALDENTEY FRONTERA, Francesc Xavier; RODRÍGUEZ GARRIDO, Antonio, David; CARCELLER GONZÁLEZ, Elena; SALAS SOLANA, Jordi Patent: WO2013/37960 A1, 2013 ; Location in patent: Page/Page column 82 ;

39830-66-5 ~% 53462-88-7

文献：US5272143 A1, ;

39830-66-5 107-06-2 93-61-8 ~% 53462-88-7

文献：US3978066 A1, ;

39830-66-5 93-61-8 ~54% 53462-88-7

文献：BIOVITRUM AB (publ) Patent: WO2008/110598 A1, 2008 ; Location in patent: Page/Page column 30 ; WO 2008/110598 A1

39830-66-5 100-61-8 ~48% 53462-88-7

文献：Wu, Wenliang; Su, Weiping Journal of the American Chemical Society, 2011 , vol. 133, # 31 p. 11924 - 11927

39830-66-5 12591-02-5 ~% 53462-88-7

文献：US6207693 B1, ;

67-56-1 141692-10-6 ~55% 53462-88-7

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

上下游产品

上游产品  8
39830-66-5 68-12-2 107-06-2 93-61-8
100-61-8 12591-02-5 67-56-1 141692-10-6
下游产品  3
39830-66-5 65923-20-8 53462-89-8

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%