4,5-Dichlorocatechol

Base Information

• Chemical Name: 4,5-Dichlorocatechol
• CAS No.: 3428-24-8
• Molecular Formula: C6H4 Cl2 O2
• Molecular Weight: 179.003
• Hs Code.: 2908199090
• European Community (EC) Number: 222-331-1
• UNII: ZGN07HXZ5R
• DSSTox Substance ID: DTXSID7022207
• Nikkaji Number: J1.823F
• Wikidata: Q27295493
• ChEMBL ID: CHEMBL1230231
• Mol file: 3428-24-8.mol

Synonyms:4,5-dichlorocatechol

Chemical Property of 4,5-Dichlorocatechol

Chemical Property:

• Vapor Pressure: 0.000561mmHg at 25°C
• Melting Point: 110-115 °C(lit.)
• Refractive Index: 1.4595 (estimate)
• Boiling Point: 302.2°Cat760mmHg
• PKA: 8.11±0.23(Predicted)
• Flash Point: 136.6°C
• PSA: 40.46000
• Density: 1.624g/cm³
• LogP: 2.40460
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 177.9588348
• Heavy Atom Count: 10
• Complexity: 106

Purity/Quality:

98%,99%, ^*data from raw suppliers

4,5-Dichlorocatechol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1Cl)Cl)O)O
• Uses: Intermediate in the preparation of Dioxin derivatives.

Technology Process of 4,5-Dichlorocatechol

There total 15 articles about 4,5-Dichlorocatechol 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: 96.0%

4,5-Dichlor-brenzcatechindimethylether (2772-46-5) → 4,5-dichlorocatechol (3428-24-8)

Guidance literature:

With boron tribromide; In dichloromethane; for 2h; Ambient temperature;

DOI:10.1021/jm950878e

Reference yield: 71.2%

benzene-1,2-diol (120-80-9,19481-10-8,37349-32-9) → 4,5-dichlorocatechol (3428-24-8)

Guidance literature:

With sulfuryl dichloride; In diethyl ether; at 0 ℃; for 3h; Inert atmosphere;

Reference yield:

LINDANE (58-89-9,6108-11-8,8073-23-2) → 2,3,6-trichlorophenol (933-75-5) + 3,4,5,6-Tetrachlorocyclohexene (1782-00-9) + 2,3,5-trichlorophenol (933-78-8) + γ-1,3,4,5,6-pentachlorocyclohexene (1890-40-0) + 4,5-dichlorocatechol (3428-24-8) + 4,6-Dichlororesorcinol (137-19-9) + 2,4,5-trichlorophenol (95-95-4) + 2,4-dichlorophenol (120-83-2,40477-79-0) + 2,3,4,6-tetrachlorophenol (58-90-2) + 1,1,2,2-tetrachloroethane (79-34-5)

Guidance literature:

With phosphotungstic acid; perchloric acid; water; oxygen; at 20 ℃; pH=1; Photolysis;

DOI:10.1016/j.cattod.2010.02.017

upstream raw materials:

5,6-dichloro-2,2-dimethyl-benzo[1,3]dioxole

4-chloro-1,2-benzenediol

benzene-1,2-diol

2,5,6-Trichlor-1,3-benzodioxo

Downstream raw materials:

4,5-Dichlor-brenzcatechindimethylether

7,8-dichloro-2-trifluoromethyldibenzo-p-dioxine

2,3,7-trichloro-8-trifluoromethyldibenzo-p-dioxin

1,3,4,7,8-pentachloro-2-nitrodibenzo-p-dioxin

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