57196-62-0

• 常用中文名：6-甲氧基-1,2,3,4-四氢异喹啉盐酸盐
• 常用英文名：6-Methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride
• CAS号：57196-62-0
• 分子式：C₁₀H₁₄ClNO
• 分子量：199.677
• 发布时间：2018-07-31 20:06:39
• 更新时间：2025-08-24 14:47:57

名称

• 中文名: 6-甲氧基-1,2,3,4-四氢异喹啉盐酸盐
• 英文名: 6-Methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride
• 英文别名: 6-Methoxy-1,2,3,4-tetrahydroisochinolinhydrochlorid(1:1); 6-Methoxy-1,2,3,4-tetrahydroisochinolinhydrochlorid; 6-Methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride (1:1); 6-methoxy-1,2,3,4-tetrahydroisoquinoline,hydrochloride; Isoquinoline, 1,2,3,4-tetrahydro-6-methoxy-, hydrochloride (1:1)

物化性质

• 沸点: 283.6ºC at 760 mmHg
• 熔点: 230-232.5ºC
• 分子式: C₁₀H₁₄ClNO
• 分子量: 199.677
• 闪点: 109.2ºC
• 精确质量: 199.076385
• PSA: 21.26000
• LogP: 2.47170
• 储存条件: 2-8°C

MSDS

Material Safety Data Sheet Section1. Identification of the substance Product Name: 6-Methoxy-1,2,3,4-tetrahydroisoquinoline, HCl Synonyms: Section2. Hazards identification Harmful by inhalation, in contact with skin, and if swallowed. H302:Harmful if swallowed H411:Toxic to aquatic life with long lasting effects P273:Avoid release to the environment Section3. Composition/information on ingredients. Ingredient name:6-Methoxy-1,2,3,4-tetrahydroisoquinoline, HCl CAS number:57196-62-0 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. Storage:Store in closed vessels, refrigerated. 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 Melting point:No data Flash point:No data Density:No data Molecular formula:C10H13NO.ClH Molecular weight:199.7 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen chloride. 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

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : NX1750000 CHEMICAL NAME : Isoquinoline, 6-methoxy-1,2,3,4-tetrahydro-, hydrochloride CAS REGISTRY NUMBER : 57196-62-0 LAST UPDATED : 199009 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C10-H13-N-O.Cl-H MOLECULAR WEIGHT : 199.70 WISWESSER LINE NOTATION : T66 CMT&J HO1 &GH HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Parenteral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 120 mg/kg TOXIC EFFECTS : Behavioral - tremor Behavioral - irritability REFERENCE : JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 62,165,1938

安全

• 危害码 (欧洲): Xi: Irritant;
• 海关编码: 2933499090

合成路线

942150-85-8 ~90% 57196-62-0

文献：Zhong, H. Marion; Villani, Frank J.; Marzouq, Ramzy Organic Process Research and Development, 2007 , vol. 11, # 3 p. 463 - 465

50-00-0 55-81-2 ~91% 57196-62-0

文献：GLAXO GROUP LIMITED Patent: WO2003/99786 A2, 2003 ; Location in patent: Page 35 ;

42923-77-3 ~% 57196-62-0

文献：EP1676844 A1, ; Page/Page column 13 ;

2039-67-0 ~59% 57196-62-0

文献：SmithKline and French Laboratories, Ltd. Patent: US4812573 A1, 1989 ;

591-31-1 ~% 57196-62-0

文献：Journal of Medicinal Chemistry, , vol. 56, # 8 p. 3414 - 3418

3179-09-7 ~% 57196-62-0

文献：Journal of Medicinal Chemistry, , vol. 56, # 8 p. 3414 - 3418

14446-29-8 ~% 57196-62-0

文献：Journal of Chemical Research, Miniprint, , # 2 p. 501 - 526

110339-54-3 ~% 57196-62-0

文献：Journal of Chemical Research, Miniprint, , # 2 p. 501 - 526

上下游产品

上游产品  9
942150-85-8 50-00-0 55-81-2 42923-77-3
2039-67-0 591-31-1 3179-09-7 14446-29-8
110339-54-3
下游产品  4
42923-77-3 252061-94-2 59839-23-5 158984-83-9

海关

海关编码	2933499090
中文概述	2933499090. 其他含喹琳或异喹啉环系的化合物〔但未进一步稠合的〕. 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	2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%