1,2,3,5-Tetrachlorobenzene

Base Information

• Chemical Name: 1,2,3,5-Tetrachlorobenzene
• CAS No.: 634-90-2
• Molecular Formula: C6H2Cl4
• Molecular Weight: 215.894
• Hs Code.: 2903999090
• European Community (EC) Number: 211-217-7
• NSC Number: 78934
• UNII: I27N186CIN
• DSSTox Substance ID: DTXSID1026089
• Nikkaji Number: J532K
• Wikidata: Q27116931
• ChEMBL ID: CHEMBL44011
• Mol file: 634-90-2.mol

Synonyms:1,2,3,5-tetrachlorobenzene

Chemical Property of 1,2,3,5-Tetrachlorobenzene

Chemical Property:

• Appearance/Colour: White crystals or off-white solid
• Vapor Pressure: 0.0363mmHg at 25°C
• Melting Point: 54.5 °C
• Refractive Index: 1.582
• Boiling Point: 249.4 °C at 760 mmHg
• Flash Point: 110 °C
• PSA: 0.00000
• Density: 1.573 g/cm³
• LogP: 4.30020
• Storage Temp.: APPROX 4°C
• Solubility.: Soluble in alcohol, benzene, ether, and ligroin (Weast, 1986)
• Water Solubility.: 4.016mg/L(25 oC)
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 215.888111
• Heavy Atom Count: 10
• Complexity: 104

Purity/Quality:

99% ^*data from raw suppliers

1,2,3,5-Tetrachlorobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn,T,F
• Statements: 22-39/23/24/25-23/24/25-11
• Safety Statements: 22-24/25-45-36/37-16-7

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Halogenated Monoaromatics
• Canonical SMILES: C1=C(C=C(C(=C1Cl)Cl)Cl)Cl

Technology Process of 1,2,3,5-Tetrachlorobenzene

There total 57 articles about 1,2,3,5-Tetrachlorobenzene 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: 47.0%

hexachlorobenzene (118-74-1,67471-27-6) → 1,2,3,5-tetrachlorobenzene (634-90-2) + pentachlorobenzene (608-93-5)

Guidance literature:

In diethyl ether; for 17h; Irradiation;

Reference yield: 26.4%

pentachlorobenzene (608-93-5) → 1,2,4,5-tetrachlorobenzene (95-94-3) + 1,2,3,5-tetrachlorobenzene (634-90-2) + 1,2,3,4,-tetrachlorobenzene (634-66-2)

Guidance literature:

With radical anion of biphenyl; at -68 ℃; Product distribution; Mechanism; Rate constant; Irradiation; radical anion of naphthalene, different temperatures;

DOI:10.1021/jo00011a036

Reference yield:

1,2,4-Trichlorobenzene (120-82-1,63697-18-7) → 1,2,3,5-tetrachlorobenzene (634-90-2) + para-dichlorobenzene (106-46-7,84348-21-0) + 1,2-dichloro-benzene (95-50-1) + 1,3-Dichlorobenzene (541-73-1)

Guidance literature:

With eicosaethylene glycol hexadecyl ether; In water; Quantum yield; UV-irradiation;

DOI:10.1021/es00062a029

upstream raw materials:

2,4,6-trinitrochlorobenzene

1,3,5-trichlorobenzene

optically inactive 1,2,3,4,5,6-hexachloro-cyclohexene

diphenyl sulphone

Downstream raw materials:

2-ethyl-1,3,4,5-tetrachloro-benzene

1,3-diethyl-2,4,5,6-tetrachloro-benzene

2,3,5-trichlorophenol

2,3,5-trichloroanisole

Refernces

• 1、 Blumenstock,Zimmermann,Schramm,Kettrup. "Identification of surrogate compounds for the emission of PCDD/F (I-TEQ value) and evaluation of their on-line realtime detectability in flue gases of waste incineration plants by REMPI-TOFMS mass spectrometry". . p. 507 - 518. Retrieved 2007/10/03.
• 2、 Jiwan, J. L. Habib,Soumillion, J. Ph.. "Photoinduced Charge Separation in Rigid Bichromophoric Compounds and Charge Transfer State Electron Transfer Reactivity". . p. 14223 - 14230. Retrieved 2007/10/02.