6-Chloro-7-nitroquinoxaline

Base Information

• Chemical Name: 6-Chloro-7-nitroquinoxaline
• CAS No.: 109541-21-1
• Molecular Formula: C₈H₄ClN₃O₂
• Molecular Weight: 209.592
• Hs Code.: 29339980
• DSSTox Substance ID: DTXSID90352924
• Wikidata: Q82130349
• Mol file: 109541-21-1.mol

Synonyms:6-chloro-7-nitroquinoxaline;109541-21-1;SCHEMBL7825439;DTXSID90352924;GVENYEPMSTYETH-UHFFFAOYSA-N;AKOS024283111;DY-0048;6-Chloro-7-nitroquinoxaline, AldrichCPR;FT-0719870;E86822

Chemical Property of 6-Chloro-7-nitroquinoxaline

Chemical Property:

• Vapor Pressure: 1.76E-05mmHg at 25°C
• Melting Point: 210-213 °C
• Refractive Index: 1.5560 (estimate)
• Boiling Point: 374.7°Cat760mmHg
• PKA: -2.65±0.30(Predicted)
• Flash Point: 180.4°C
• PSA: 71.60000
• Density: 1.566g/cm³
• LogP: 2.71460
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 208.9992041
• Heavy Atom Count: 14
• Complexity: 233

Purity/Quality:

97% ^*data from raw suppliers

6-CHLORO-7-NITROQUINOXALINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=C2C=C(C(=CC2=N1)[N+](=O)[O-])Cl

Technology Process of 6-Chloro-7-nitroquinoxaline

There total 7 articles about 6-Chloro-7-nitroquinoxaline 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: 83.0%

Glyoxal (131543-46-9,107-22-2) + 4-nitro-5-chloro-1,2-phenylenediamine (67073-39-6) → 6-chloro-7-nitroquinoxaline (109541-21-1)

Guidance literature:

In ethanol; water; for 1h; Heating;

DOI:10.3987/R-1987-09-2433

Reference yield: 37.0%

6-nitroquinoxaline-N1-oxide (109541-15-3) → 2-Chloro-6-nitroquinoxaline (6272-25-9) + 5-chloro-6-nitroquinoxaline (109541-20-0) + 6-chloro-7-nitroquinoxaline (109541-21-1)

Guidance literature:

With trichlorophosphate; for 18h; Heating;

Reference yield: 18.0%

6,7-dinitroquinoxaline (68836-13-5) → 6,7‐dichloroquinoxaline (19853-64-6) + 6-chloro-7-nitroquinoxaline (109541-21-1)

Guidance literature:

With hydrogenchloride; In N,N-dimethyl-formamide; at 80 - 85 ℃; for 12h;

DOI:10.3987/R-1987-09-2433

upstream raw materials:

Glyoxal

4-nitro-5-chloro-1,2-phenylenediamine

6-nitroquinoxaline-N₁-oxide

6,7-dinitroquinoxaline

Downstream raw materials:

4-amino-6-((7-(2-(methylsulfonyl)phenyl)-quinoxalin-6-yl)methylamino)pyrimidine-5-carbonitrile

6-methyl-7-(2-(methylsulfonyl)phenyl)quinoxaline

6-(bromomethyl)-7-(2-(methylsulfonyl)phenyl)quinoxaline

6-(azidomethyl)-7-(2-(methylsulfonyl)phenyl)quinoxaline

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