5-Bromo-8-nitroisoquinoline

Base Information

• Chemical Name: 5-Bromo-8-nitroisoquinoline
• CAS No.: 63927-23-1
• Molecular Formula: C9H5BrN2O2
• Molecular Weight: 253.055
• Hs Code.: 2933499090
• European Community (EC) Number: 804-292-8
• DSSTox Substance ID: DTXSID80355722
• Nikkaji Number: J2.150.286C
• Wikidata: Q72448634
• Mol file: 63927-23-1.mol

Synonyms:5-Bromo-8-nitroisoquinoline;63927-23-1;5-Bromo-8-nitro-isoquinoline;Isoquinoline, 5-bromo-8-nitro-;MFCD02091227;SCHEMBL246756;5-bromo-8-(nitro)isoquinoline;DTXSID80355722;ULGOLOXWHJEZNZ-UHFFFAOYSA-N;BCP21747;5-Bromo-8-nitroisoquinoline, 90%;AKOS000117718;AC-1142;CS-W008435;DS-0210;SB38083;NCGC00342614-01;SY002217;AM20070240;B4163;FT-0602282;EN300-09137;A19766;AB01334854-02;AB01334854-03;AB-323/25048516;SR-01000050577;J-517149;SR-01000050577-1;Z55993019;(E)-tert-butyl4-(1-amino-3-ethoxy-3-oxoprop-1-enyl)piperidine-1-carboxylate

Chemical Property of 5-Bromo-8-nitroisoquinoline

Chemical Property:

• Appearance/Colour: yellow solid
• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 136-140 °C
• Refractive Index: 1.707
• Boiling Point: 386.949 °C at 760 mmHg
• PKA: 2?+-.0.36(Predicted)
• Flash Point: 187.82 °C
• PSA: 58.71000
• Density: 1.748 g/cm³
• LogP: 3.42870
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 251.95344
• Heavy Atom Count: 14
• Complexity: 231

Purity/Quality:

99% ^*data from raw suppliers

5-Bromo-8-nitroisoquinoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25-37/38-41
• Safety Statements: 26-39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C2C=CN=CC2=C1[N+](=O)[O-])Br

Technology Process of 5-Bromo-8-nitroisoquinoline

There total 6 articles about 5-Bromo-8-nitroisoquinoline 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: 99.0%

5-bromoisoquinoline (34784-04-8) → 5-bromo-8-nitroisoquinoline (63927-23-1)

Guidance literature:

With sulfuric acid; nitric acid; at 20 ℃; for 1.5h;

Reference yield: 72.0%

→ 5-bromo-8-nitroisoquinoline (63927-23-1)

Guidance literature:

Reference yield: 51.0%

isoquinoline (119-65-3) → 5-bromo-8-nitroisoquinoline (63927-23-1)

Guidance literature:

isoquinoline; With sulfuric acid; at 0 - 30 ℃;

With N-Bromosuccinimide; at -26 - -18 ℃; for 5h;

With potassium nitrate; regioselective reaction;

DOI:10.15227/orgsyn.081.0098

upstream raw materials:

5-bromoisoquinoline

isoquinoline

isoquinolin-5-ylamine

Downstream raw materials:

5-Brom-2-methyl-8-nitroisochinolinium-p-toluolsulfonat

5-bromo-2-methyl-8-nitro-1,2,3,4-tetrahydroisoquinoline

8-aminoisoquinoline

8-amino-5-bromoisoquinoline