1,3-Benzenediol, 2-chloro-4,6-dinitro-

Base Information

• Chemical Name: 1,3-Benzenediol, 2-chloro-4,6-dinitro-
• CAS No.: 116920-31-1
• Molecular Formula: C6H3ClN2O6
• Molecular Weight: 234.553
• DSSTox Substance ID: DTXSID60455471
• Nikkaji Number: J1.638.323F
• Wikidata: Q82277504
• Mol file: 116920-31-1.mol

Synonyms:2-chloro-4,6-dinitroresorcinol;1,3-Benzenediol, 2-chloro-4,6-dinitro-;116920-31-1;Chlordinitroresorcin;SCHEMBL9112380;DTXSID60455471;MQUYUNNOHCHJQM-UHFFFAOYSA-N;1,3-dihydroxy-2-chloro-4,6-dinitrobenzene

Chemical Property of 1,3-Benzenediol, 2-chloro-4,6-dinitro-

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 233.9679635
• Heavy Atom Count: 15
• Complexity: 250

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,3-Benzenediol, 2-chloro-4,6-dinitro-

There total 6 articles about 1,3-Benzenediol, 2-chloro-4,6-dinitro- 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: 65.0%

2-chlororesorcinol (6201-65-6) → 1,3-dihydroxy-2-chloro-4,6-dinitrobenzene (116920-31-1)

Guidance literature:

With nitric acid; In sulfuric acid;

Reference yield: 63.0%

2-chlororesorcinol-4,6-disulphonic acid → 1,3-dihydroxy-2-chloro-4,6-dinitrobenzene (116920-31-1)

Guidance literature:

With nitric acid; sodium hydrogencarbonate; In water;

Reference yield:

1,2,3-trichloro-4,6-dinitrobenzene (6379-46-0) → 1,3-dihydroxy-2-chloro-4,6-dinitrobenzene (116920-31-1)

Guidance literature:

With cetyltrimethylammonim bromide; sodium hydroxide; In water; toluene; at 85 ℃; for 5h; Solvent; Reagent/catalyst; Catalytic behavior; Micellar solution;

DOI:10.1016/j.molliq.2019.112429

upstream raw materials:

4,6-dinitroresorcinol

nitric acid

2-chlororesorcinol

1,2,3-trichloro-4,6-dinitrobenzene

Downstream raw materials:

2-chloro-4,6-diaminoresorcinol

4,6-diaminoresorcin dihydrochloride

4,6-diamino-1,3-benzenediol

4,6-bis(isopropylamino)resorcinol hydrochloride