2-Chloro-1,4-dinitrobenzene

Base Information

• Chemical Name: 2-Chloro-1,4-dinitrobenzene
• CAS No.: 619-16-9
• Molecular Formula: C6H3ClN2O4
• Molecular Weight: 202.554
• Hs Code.: 2904902000
• NSC Number: 154554
• UNII: 6TGA767QWV
• DSSTox Substance ID: DTXSID80210923
• Nikkaji Number: J95.415B
• Wikidata: Q27265500
• Mol file: 619-16-9.mol

Synonyms:2-Chloro-1,4-dinitrobenzene;619-16-9;Benzene, 2-chloro-1,4-dinitro-;1-Chloro-2,5-dinitrobenzene;1,4-Dinitro-2-chlorobenzene;NSC154554;UNII-6TGA767QWV;6TGA767QWV;NSC 154554;NSC-154554;2-chloro-1,4-dinitro-benzene;2,5-dinitrochlorobenzene;SCHEMBL2859245;2-Chloro-1,4-dinitrobenzene #;DTXSID80210923;AMY42512;MFCD00474537;AKOS015890153;AC-26074;FT-0656771;EN300-95670;A20798;Q27265500

Chemical Property of 2-Chloro-1,4-dinitrobenzene

Chemical Property:

• Vapor Pressure: 0.000607mmHg at 25°C
• Melting Point: 64 °C
• Refractive Index: 1.625
• Boiling Point: 320.1 °C at 760 mmHg
• Flash Point: 147.4 °C
• PSA: 91.64000
• Density: 1.619 g/cm³
• LogP: 3.20280
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 201.9781343
• Heavy Atom Count: 13
• Complexity: 224

Purity/Quality:

99% ^*data from raw suppliers

2-?Chloro-?1,?4-?dinitrobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)[N+](=O)[O-]
• Uses: Uses are the same as other isomers such as 4-chloro-1,2- dinitrobenzene. 2-?Chloro-?1,?4-?dinitrobenzene is a reagent used in the synthesis of novel thiazole derivatives which are potential coxsackie inhibitors.

Technology Process of 2-Chloro-1,4-dinitrobenzene

There total 10 articles about 2-Chloro-1,4-dinitrobenzene 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: 60.0%

3-chloro-4-nitroaniline (825-41-2) → 1-chloro-2,5-dinitrobenzene (619-16-9)

Guidance literature:

With tetrafluoroboric acid; sodium nitrite; In water; for 0.166667h;

Reference yield:

2,5-dinitrophenol (329-71-5) → 1-chloro-2,5-dinitrobenzene (619-16-9)

Guidance literature:

With trichlorophosphate; In N,N-dimethyl-formamide; for 2h; Ambient temperature;

Reference yield:

2-Chloro-4-nitroaniline (121-87-9) → 1-chloro-2,5-dinitrobenzene (619-16-9) + (2-chloro-4-nitro-phenyl)-bis-(2,5-dinitro-phenyl)-amine (114224-89-4)

Guidance literature:

With dihydrogen peroxide; trifluoroacetic acid;

DOI:10.1021/jo01362a001

upstream raw materials:

chloro-[1,4]benzoquinone dioxime

2,5-dinitroaniline

2-Chloro-4-nitroaniline

2,5-dinitrophenol

Downstream raw materials:

2-chloro-4-nitroanisole

2,4,5-trinitrochlorobenzene

2-Chloro-4-nitroaniline

2,4-diaminonitrobenzene

Refernces

• 1、 Bartoli, Giuseppe,Dalpozzo, Renato,Grossi, Loris. "Addition and Redox Processes in the Reaction of Grignard Reagents with 1,4-Dinitrobenzene. Factors affecting Produdct Distribution". . p. 573 - 578. Retrieved 2007/10/02.