3589-72-8

• 常用中文名：6-甲氧基-1-甲基-9H-吡啶并[3,4-b]吲哚
• 常用英文名：9H-Pyrido[3,4-b]indole,6-methoxy-1-methyl-
• CAS号：3589-72-8
• 分子式：C₁₃H₁₂N₂O
• 分子量：212.24700
• 发布时间：2017-08-09 21:33:10
• 更新时间：2024-01-09 10:26:11

名称

• 中文名: 6-甲氧基-1-甲基-9H-吡啶并[3,4-b]吲哚
• 英文名: 6-methoxy-1-methyl-9H-pyrido[3,4-b]indole
• 英文别名: 6-Methoxy Harman; Coharmine; 6-Methoxyharmane; Isoharmine

物化性质

• 密度: 1.252g/cm3
• 沸点: 421.4ºC at 760mmHg
• 熔点: 275ºC (dec.)
• 分子式: C₁₃H₁₂N₂O
• 分子量: 212.24700
• 闪点: 139.7ºC
• 精确质量: 212.09500
• PSA: 37.91000
• LogP: 3.03310
• 折射率: 1.706
• 储存条件: 室温

MSDS

Version 1.2 Regulation (EC) No 1907/2006 1 - Product and Company Information Product Name6-METHOXYHARMAN 2 - Hazards Identification 3 - Composition/Information on Ingredients Product NameCAS #EC noAnnex I Index Number 6-METHOXYHARMAN3589-72-8 NoneNone FormulaC13H12N2O Molecular Weight 212,3000 AMU SynonymsCoharmine * Isoharmine * 6-Methoxyharman * 6-Methoxyharmane * 6-Methoxy-1-methyl-9H-pyrido(3,4-b)indole 4 - First Aid Measures AFTER INHALATION If inhaled, remove to fresh air. If breathing becomes difficult, call a physician. AFTER SKIN CONTACT In case of skin contact, flush with copious amounts of water for at least 15 minutes. Remove contaminated clothing and shoes. Call a physician. AFTER EYE CONTACT In case of contact with eyes, flush with copious amounts of water for at least 15 minutes. Assure adequate flushing by separating the eyelids with fingers. Call a physician. AFTER INGESTION If swallowed, wash out mouth with water provided person is conscious. Call a physician. 5 - Fire Fighting Measures SIGMAwww.molbase.com EXTINGUISHING MEDIA Suitable: Water spray. Carbon dioxide, dry chemical powder, or appropriate foam. SPECIAL RISKS Specific Hazard(s): Emits toxic fumes under fire conditions. SPECIAL PROTECTIVE EQUIPMENT FOR FIREFIGHTERS Wear self-contained breathing apparatus and protective clothing to prevent contact with skin and eyes. 6 - Accidental Release Measures PROCEDURE(S) OF PERSONAL PRECAUTION(S) Wear protective equipment. METHODS FOR CLEANING UP Sweep up, place in a bag and hold for waste disposal. Avoid raising dust. Ventilate area and wash spill site after material pickup is complete. 7 - Handling and Storage STORAGE Store at 2-8°C 8 - Exposure Controls / Personal Protection ENGINEERING CONTROLS Mechanical exhaust required. PERSONAL PROTECTIVE EQUIPMENT Special Protective Measures: Wear appropriate government approved respirator, chemical-resistant gloves, safety goggles, other protective clothing. 9 - Physical and Chemical Properties AppearancePhysical State: Solid PropertyValueAt Temperature or Pressure pHN/A BP/BP RangeN/A MP/MP RangeN/A Flash PointN/A FlammabilityN/A Autoignition TempN/A Oxidizing PropertiesN/A Explosive PropertiesN/A Explosion LimitsN/A Vapor PressureN/A Partition CoefficientN/A ViscosityN/A Vapor DensityN/A Saturated Vapor Conc.N/A Evaporation RateN/A Bulk DensityN/A Decomposition Temp.N/A SIGMAwww.molbase.com Solvent ContentN/A Water ContentN/A Surface TensionN/A ConductivityN/A Miscellaneous DataN/A SolubilityN/A 10 - Stability and Reactivity STABILITY Stable: Stable. HAZARDOUS DECOMPOSITION PRODUCTS Hazardous Decomposition Products: Carbon monoxide, carbon dioxide, and nitrogen oxides. HAZARDOUS POLYMERIZATION Hazardous Polymerization: Will not occur 11 - Toxicological Information RTECS NUMBER: UV0168000 ACUTE TOXICITY LD50 Intraperitoneal Mouse 650 MG/KG Remarks: Kidney, Ureter, Bladder:Urine volume increased. ROUTE OF EXPOSURE Multiple Routes: May be harmful by inhalation, ingestion, or skin absorption. May cause irritation. CONDITIONS AGGRAVATED BY EXPOSURE The toxicological properties have not been thoroughly investigated. 12 - Ecological Information No data available. 13 - Disposal Considerations SUBSTANCE DISPOSAL Dissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber. Observe all federal, state, and local environmental regulations. 14 - Transport Information RID/ADR Non-hazardous for road transport. IMDG Non-hazardous for sea transport. IATA SIGMAwww.molbase.com Non-hazardous for air transport. 15 - Regulatory Information Caution: Substance not yet fully tested (EU). COUNTRY SPECIFIC INFORMATION Germany WGK: 3 Self-Classification 16 - Other Information WARRANTY The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. Inc., shall not be held liable for any damage resulting from handling or from contact with the above product. See reverse side of invoice or packing slip for additional terms and conditions of sale. Copyright 2010 Co. License granted to make unlimitedpaper copies for internal use only. DISCLAIMER For R&D use only. Not for drug, household or other uses. SIGMAwww.molbase.com SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : UV0168000 CHEMICAL NAME : 9H-Pyrido(3,4-b)indole, 6-methoxy-1-methyl- CAS REGISTRY NUMBER : 3589-72-8 BEILSTEIN REFERENCE NO. : 0178687 LAST UPDATED : 199712 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C13-H12-N2-O MOLECULAR WEIGHT : 212.27 WISWESSER LINE NOTATION : T B656 EN HNJ F1 LO1 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 650 mg/kg TOXIC EFFECTS : Kidney, Ureter, Bladder - urine volume increased REFERENCE : FAZMAE Fortschritte der Arzneimittelforschung. Progress in Drug Research. (Birkhauser Boston, Inc., c/o Springer-Verlag New York, 44 Hartz Way, Secaucus, NJ 07094) V.1- 1959- Volume(issue)/page/year: 6,75,1963

安全

• 海关编码: 2933990090

合成路线

1210-56-6 ~40% 3589-72-8

文献：Sapi, Janos; Patigny, Dominique; Laronze, Jean-Yves Heterocycles, 1999 , vol. 51, # 2 p. 361 - 364

66-83-1 ~% 3589-72-8

文献：Sapi, Janos; Patigny, Dominique; Laronze, Jean-Yves Heterocycles, 1999 , vol. 51, # 2 p. 361 - 364

29573-11-3 ~% 3589-72-8

文献：Schott, Yvonne; Decker, Michael; Rommelspacher, Hans; Lehmann, Jochen Bioorganic and Medicinal Chemistry Letters, 2006 , vol. 16, # 22 p. 5840 - 5843

3589-73-9 ~% 3589-72-8

文献：Spaeth; Lederer Chemische Berichte, 1930 , vol. 63, p. 2102,2106

608-07-1 ~% 3589-72-8

文献：Cuny, Gregory D.; Ulyanova, Natalia P.; Patnaik, Debasis; Liu, Ji-Feng; Lin, Xiangjie; Auerbach, Ken; Ray, Soumya S.; Xian, Jun; Glicksman, Marcie A.; Stein, Ross L.; Higgins, Jonathan M.G. Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 5 p. 2015 - 2019

61675-19-2 ~% 3589-72-8

文献：Cuny, Gregory D.; Ulyanova, Natalia P.; Patnaik, Debasis; Liu, Ji-Feng; Lin, Xiangjie; Auerbach, Ken; Ray, Soumya S.; Xian, Jun; Glicksman, Marcie A.; Stein, Ross L.; Higgins, Jonathan M.G. Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 5 p. 2015 - 2019

28052-84-8 ~% 3589-72-8

文献：Song, Yongcheng; Wang, Jian; Teng, Su Fern; Kesuma, Djohan; Deng, Yu; Duan, Jinao; Wang, Jerry H.; Qi, Robert Zhong; Sim, Mui Mui Bioorganic and Medicinal Chemistry Letters, 2002 , vol. 12, # 7 p. 1129 - 1132

73-31-4 ~% 3589-72-8

文献：Spaeth; Lederer Chemische Berichte, 1930 , vol. 63, p. 2102,2106

上下游产品

上游产品  7
1210-56-6 66-83-1 3589-73-9 608-07-1
61675-19-2 28052-84-8 73-31-4
下游产品  1
67767-19-5

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%