2,3-Dichloro-1,4,5,8-naphthalenetetrone

Base Information

• Chemical Name: 2,3-Dichloro-1,4,5,8-naphthalenetetrone
• CAS No.: 78456-63-0
• Molecular Formula: C₁₀H₂Cl₂O₄
• Molecular Weight: 257.029
• DSSTox Substance ID: DTXSID40229091
• Nikkaji Number: J605.376I
• Wikidata: Q83109283
• Mol file: 78456-63-0.mol

Synonyms:2,3-Dichloro-1,4,5,8-naphthalenetetrone;78456-63-0;CCRIS 6668;SCHEMBL3063819;DTXSID40229091;2,3-dichloro-1,4,5,8-naphthodiquinone

Chemical Property of 2,3-Dichloro-1,4,5,8-naphthalenetetrone

Chemical Property:

• Vapor Pressure: 3.85E-05mmHg at 25°C
• Boiling Point: 352.4°Cat760mmHg
• Flash Point: 148.8°C
• PSA: 68.28000
• Density: 1.74g/cm³
• LogP: 0.03460
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 255.9330139
• Heavy Atom Count: 16
• Complexity: 515

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=O)C2=C(C1=O)C(=O)C(=C(C2=O)Cl)Cl

Technology Process of 2,3-Dichloro-1,4,5,8-naphthalenetetrone

There total 1 articles about 2,3-Dichloro-1,4,5,8-naphthalenetetrone 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: 85.0%

2,3-dichloro-5,8-dihydroxy-[1,4]naphthoquinone (14918-69-5) → 2,3-dichloro-1,4,5,8-naphthodiquinone (78456-63-0)

Guidance literature:

With bis-[(trifluoroacetoxy)iodo]benzene; In acetone; for 1h; Ambient temperature;

DOI:10.1016/0223-5234(88)90173-0

Reference yield: 89.0%

2,3-dichloro-1,4,5,8-naphthodiquinone (78456-63-0) → 2,3-dichloro-5,8-dihydroxy-[1,4]naphthoquinone (14918-69-5)

Guidance literature:

With 9,10-dimethoxyanthracene; In chloroform; for 3h; Ambient temperature;

DOI:10.1021/jo00212a006

Reference yield: 78.0%

9-methoxyanthracene (2395-96-2,34516-97-7,84367-94-2) + 2,3-dichloro-1,4,5,8-naphthodiquinone (78456-63-0) → 2,3-dichloro-5,8-dihydroxy-[1,4]naphthoquinone (14918-69-5) + C25H14Cl2O5 (96166-15-3)

Guidance literature:

Ambient temperature;

DOI:10.1021/jo00212a006

upstream raw materials:

2,3-dichloro-5,8-dihydroxy-[1,4]naphthoquinone

Downstream raw materials:

2,3-dichloro-5,8-dihydroxy-[1,4]naphthoquinone

C₂₅H₁₄Cl₂O₅