1,3,5-Trichlorobenzene

Base Information

• Chemical Name: 1,3,5-Trichlorobenzene
• CAS No.: 108-70-3
• Molecular Formula: C6H3Cl3
• Molecular Weight: 181.449
• Hs Code.: 29039990
• European Community (EC) Number: 203-608-6
• ICSC Number: 0344
• NSC Number: 4389
• UNII: 2HS4M0BX3C
• DSSTox Substance ID: DTXSID8026195
• Nikkaji Number: J2.427I
• Wikipedia: 1,3,5-Trichlorobenzene
• Wikidata: Q2031856
• Metabolomics Workbench ID: 143644
• ChEMBL ID: CHEMBL44228
• Mol file: 108-70-3.mol

Synonyms:1,3,5-trichlorobenzene

Chemical Property of 1,3,5-Trichlorobenzene

Chemical Property:

• Appearance/Colour: white to beige crystalline powder
• Vapor Pressure: 0.267mmHg at 25°C
• Melting Point: 63 °C
• Refractive Index: 1.567
• Boiling Point: 211.3 °C at 760 mmHg
• Flash Point: 126.7 °C
• PSA: 0.00000
• Density: 1.448 g/cm³
• LogP: 3.64680
• Storage Temp.: 0-6°C
• Solubility.: Soluble in benzene, ether, ligroin (Weast, 1986), glacial acetic acid, carbon disulfide, and petroleum ether (Windholz et al., 1983)
• Water Solubility.: Insoluble in water.
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 179.930033
• Heavy Atom Count: 9
• Complexity: 63.3

Purity/Quality:

99% ^*data from raw suppliers

1,3,5-Trichlorobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38-38-22-52/53
• Safety Statements: 26-36-36/37-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Chlorinated Aromatics
• Canonical SMILES: C1=C(C=C(C=C1Cl)Cl)Cl
• Recent ClinicalTrials: A Study of Tocilizumab and Methotrexate in Combination or as Monotherapy in Treatment-Na?ve Patients With Early Rheumatoid Arthritis
• Inhalation Risk: A harmful contamination of the air will be reached rather slowly on evaporation of this substance at 20 °C; on spraying or dispersing, however, much faster.
• Effects of Short Term Exposure: The substance is irritating to the eyes and respiratory tract.
• General Description: 1,3,5-Trichlorobenzene is a symmetrical trichlorinated aromatic compound synthesized through the regioselective trichlorination of aniline using N-chlorosuccinimide (NCS), followed by reduction of the resulting 2,4,6-trichloroaniline diazonium salt. It is chemically distinct from other trichlorobenzene isomers, as it does not participate in base-catalyzed halogen dance reactions. Additionally, it can form as a dechlorination product of α-hexachlorocyclohexane (α-HCH) in the presence of iron porphyrin catalysts, alongside other trichlorobenzene isomers.

Technology Process of 1,3,5-Trichlorobenzene

There total 85 articles about 1,3,5-Trichlorobenzene 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: 97.2%

1-bromo-3,5-dichlorobenzene (19752-55-7) → 1,3,5-trichlorobenzene (108-70-3,63697-19-8)

Guidance literature:

With chlorine; sodium thiosulfate;

Reference yield: 95.0%

2,4,6-trichloroaniline (634-93-5) → 1,3,5-trichlorobenzene (108-70-3,63697-19-8)

Guidance literature:

With sulfuric acid; hypophosphorous acid; sodium nitrite; In water; at -5 - 25 ℃;

Reference yield: 91.0%

1,3-dibromo-5-chlorobenzene (14862-52-3) → 1,3,5-trichlorobenzene (108-70-3,63697-19-8)

Guidance literature:

With chlorine; sodium thiosulfate; In tetrachloromethane;

upstream raw materials:

pyridine

alpha-hexachlorocyclohexane

quinoline

1,3,5-trinitrobenzene

Downstream raw materials:

3,5-dichlorophenol

3,5-dichloroanisole

3,5-dichloro-phenetole

1,3,5-tricyanobenzene