7-(Trifluoromethyl)-1,2,3,4-tetrahydro-5-nitroisoquinoline hydrochloride

Base Information

• Chemical Name: 7-(Trifluoromethyl)-1,2,3,4-tetrahydro-5-nitroisoquinoline hydrochloride
• CAS No.: 625126-83-2
• Molecular Formula: C10H9F3N2O2
• Molecular Weight: 246.19
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID50656819
• Mol file: 625126-83-2.mol

Synonyms:625126-83-2;7-(TRIFLUOROMETHYL)-1,2,3,4-TETRAHYDRO-5-NITROISOQUINOLINE HYDROCHLORIDE;5-nitro-7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline hydrochloride;1016980-50-9;5-nitro-7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride;7-(TRIFLUOROMETHYL)-1,2,3,4-TETRAHYDRO-5-NITROISOQUINOLINE HCL;Isoquinoline, 1,2,3,4-tetrahydro-5-nitro-7-(trifluoromethyl)-, hydrochloride (1:1);SCHEMBL16268536;DTXSID50656819;7-(Trifluoromethyl)-1,2,3,4-tetrahydro-5-nitroisoquinolinehydrochloride;AKOS015849431;FT-0646404;S11516;A833821;J-519049;5-NITRO-7-(TRIFLUOROMETHYL)-1,2,3,4-TETRAHYDROISOQUINOLINE HCL;5-nitro-7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolinehydrochloride;5-Nitro-7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline--hydrogen chloride (1/1)

Chemical Property of 7-(Trifluoromethyl)-1,2,3,4-tetrahydro-5-nitroisoquinoline hydrochloride

Chemical Property:

• Vapor Pressure: 0.000152mmHg at 25°C
• Boiling Point: 326.9°C at 760 mmHg
• PKA: 7.97±0.20(Predicted)
• Flash Point: 151.5°C
• PSA: 57.85000
• Density: 1.385±0.06 g/cm3(Predicted)
• LogP: 3.91330
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 282.0382897
• Heavy Atom Count: 18
• Complexity: 303

Purity/Quality:

98%Min ^*data from raw suppliers

5-Nitro-7-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinolinehydrochloride 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNCC2=C1C(=CC(=C2)C(F)(F)F)[N+](=O)[O-].Cl

Technology Process of 7-(Trifluoromethyl)-1,2,3,4-tetrahydro-5-nitroisoquinoline hydrochloride

There total 2 articles about 7-(Trifluoromethyl)-1,2,3,4-tetrahydro-5-nitroisoquinoline hydrochloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

C15H17F3N2O4 (625126-84-3) → C10H9F3N2O2 (625126-83-2)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; for 1h;

Reference yield:

→ C10H9F3N2O2 (625126-83-2)

Guidance literature:

upstream raw materials:

C₁₅H₁₇F₃N₂O₄

Refernces

• 1、 -. "HETEROCYCLIC CYCLOPENTYL TETRAHYDROISOQUINOLINE AND TETRAHYDROPYRIDOPYRIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY". Page 93. . Retrieved 2008/06/13.