1,2,3,4-Tetrahydroisoquinoline 1,2,3,4-四氢异喹啉

CAS 91-21-4 MFCD00006896

化学结构图

91-21-4
SMILES: c1ccc2c(c1)CCNC2

化学属性

Mol. FormulaC9H11N
Mol. Weight133.19
Density1.064
Refractive index1.5680 to 1.5710
Flash Point99°C
TSCAYes
Boiling Point232-233°C at 760 mmHg
Melting Point−30°C
Stability对空气敏感
pH:A

别名和识别编码

Chemical Name1,2,3,4-Tetrahydroisoquinoline
CAS Number91-21-4
Alfabeta NameTETRAHYDROISOQUINOLINE 1234-,,,
MDL NumberMFCD00006896
EC Number202-050-0
Beilstein Registry Number116156
Synonym 1,2,3,4-Tetrahydroisoquinoline {LY} 1,2,3,4-Tetrahydroisoquinoline {} {LY} 1,2,3,4-Tetrahydroisoquinoline {} {} {LY} 1,2,3,4-Tetrahydroisoquinoline {} {} {} {LY} 1,2,3,4-Tetrahydroisoquinoline {} {} {} {} {LY} 1,2,3,4-Tetrahydroisoquinoline {} {} {} {} {} {} {} {} {} {} {LY} 1,2,3,4-Tetrahydroisoquinoline {} {} {} {} {} {} {LY} 1,2,3,4-Tetrahydroisoquinoline {} {} {} {} {} {} {} {LY} 1,2,3,4-Tetrahydroisoquinoline {} {} {} {} {} {} {} {} {LY} 1,2,3,4-Tetrahydroisoquinoline {} {} {} {} {} {} {} {} {} {LY} 1,2,3,4-Tetrahydroisoquinoline {} {} {} {} {} {} {} {} {} {} {LY} 1,2,3,4-Tetrahydroisoquinoline {} {} {} {} {} {} {} {} {} {} {} {LY} 1,2,3,4-Tetrahydroisoquinoline {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,2,3,4-Tetrahydroisoquinoline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,2,3,4-Tetrahydroisoquinoline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,2,3,4-Tetrahydroisoquinoline {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID87577415
Reaxys-RN116156
Chemical Name Translation1,2,3,4-四氢异喹啉
Wiswesser Line NotationT66 CMT&J
LabNetwork Molecule IDLN00174732
InChIInChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4,10H,5-7H2
Canonical SMILESC12=CC=CC=C1CNCC2
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分类

  • {SNA} Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Isoquinolines
  • {SNA} Bioactive Small Molecules, Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Isoquinolines, T, 细胞生物学
  • {uni_hamburg} no charge; nitrogen heterocycle; carbocycle; aromatic; alicycle; large ring; fused rings; 6ring; 10ring; 1fragment
  • {SNA} Bioactive Small Molecules, Building Blocks, Cell Biology, Chemical Synthesis, Heterocyclic Building Blocks, Isoquinolines, T

相关文献及参考

  • Short: III/35D3 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Carbon-13, Part 3: Heterocycles Author: Gupta, R.R.; Jain, M.; Lechner, M.D.; Mikhova, B.M. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35D3 Year: 2007 Keyword: C-13; NMR; carbon-13; chemical shifts; coupling constants; heterocycles; nuclear magnetic resonance ISBN: 978-3-540-29731-4 ISBN: 3-540-29731-6 Internet Resource: DOI: 10.1007/978-3-540-47067-0 RefComment: VIII, 342 p., 1 illus., Hardcover RefComment: Written for Science and engineers in the fields of physics, chemistry and physical chemistry who inted to use NMR to study the structure and the binding of molecules Abstract: Nuclear Magnetic Resonance (NMR) is based on the fact that certain nuclei exhibit a magnetic moment, orient by a magnetic field, and absorb characteristic frequencies in the radiofrequency part of the spectrum. NMR is now a leading technique and a powerful tool for the investigation of the structure and interaction of molecules. The present Landolt-Börnstein volume III/35 Nuclear Magnetic Resonance (NMR) Data is therefore of major interest to all scientists and engineers who use NMR to study the structure and the binding of molecules. Volume III/35 "NMR-Data" is divided into several subvolumes and parts. Subvolume III/35A contains the nuclei B-11 and P-31, subvolume III/35B contains the nuclei F-19 and N-15, subvolume III/35C contains the nucleus H-1, subvolume III/35D contains the nucleus C-13, subvolume III/35E contains the nucleus O-17, and subvolume III/35G contains the nucleus Se-77. More nuclei are planned for future volumes.
  • Short: III/38B Title: Refractive Indices of Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/38B Year: 1996 Keyword: organic compounds; refractive index; liquids ISBN: 3-540-60596-7 ISBN: 978-3-540-60596-6 Internet Resource:

安全信息

Warnings IRRITANT
Signal word Warning
GHS Symbol
WGK Germany3
Safety Statements
  • S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾;
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后,立即用大量水冲洗并征求医生意见;
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护;
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服,清洗后方可重新使用
RTECSNX4900000
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes Xi
Storage condition -20°C, sealed storage, away from moisture {LY} -20°C, sealed storage, away from moisture {} {LY} -20°C, sealed storage, away from moisture {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, sealed
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 240 mg/kg
TOXIC EFFECTS :
   Autonomic Nervous System - central sympatholytic
REFERENCE :
   85IXA4 "Structure et Activite Pharmacodyanmique des Medicaments du Systeme
   Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948
    Volume(issue)/page/year: -,244,1948

其他信息

  • Alfa Aesar:1,2,3,4-四氢异喹啉,97% 1,2,3,4-Tetrahydroisoquinoline, 97%(91-21-4)
  • 上游原料:乙醇 --> 氢氧化钠 --> 甲醇 --> 乙醚 --> 乙酸 --> 三氯甲烷 --> 硫酸钠 --> 碳酸氢钠 --> 三氟乙酸 --> 甲酸乙酯 --> 多聚甲醛 --> 2-苯乙胺
  • Sigma Aldrich:91-21-4(sigmaaldrich)
  • 下游产品:6-氨基-2-N-BOC-1,2,3,4-四氢-异喹啉
  • TCI Shanghai:1,2,3,4,-四氢异喹啉 1,2,3,4-Tetrahydroisoquinoline,>;95.0%(GC)(91-21-4)
  • MOL 文件:91-21-4.mol
  • Hazard Note:Irritant
  • 四氢异喹啉价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 T1676 1,2,3,4,-四氢异喹啉 1,2,3,4-Tetrahydroisoquinoline 25G 457元 2014/06/02 T1676 1,2,3,4,-四氢异喹啉 1,2,3,4-Tetrahydroisoquinoline 500G 4010元 2010/06/21 138201000 四氢异喹啉 1,2,3,4-Tetrahydroisoquinoline 95% 100 GR 1305元
  • 图谱信息:四氢异喹啉(91-21-4)核磁图( 13 CNMR) 四氢异喹啉(91-21-4)核磁图( 1 HNMR) 四氢异喹啉(91-21-4)红外图谱(IR1) 四氢异喹啉(91-21-4)质谱(MS)
  • Acros Organics:1,2,3,4-四氢异喹啉 1,2,3,4-Tetrahydroisoquinoline, 95%(91-21-4)

系列性分类