1,2,3-Trichlorobenzene

Base Information

• Chemical Name: 1,2,3-Trichlorobenzene
• CAS No.: 87-61-6
• Molecular Formula: C6H3Cl3
• Molecular Weight: 181.449
• Hs Code.: 2903.69
• European Community (EC) Number: 201-757-1,234-413-4
• ICSC Number: 1222
• NSC Number: 43432
• UN Number: 2810,2321,3077
• UNII: NUR9777IK4
• DSSTox Substance ID: DTXSID8026193
• Nikkaji Number: J3.538F
• Wikidata: Q1917053
• Metabolomics Workbench ID: 52115
• ChEMBL ID: CHEMBL46557
• Mol file: 87-61-6.mol

Synonyms:1,2,6-Trichlorobenzene;NSC 43432;vic-Trichlorobenzene;

Chemical Property of 1,2,3-Trichlorobenzene

Chemical Property:

• Appearance/Colour: White crystalline
• Vapor Pressure: 0.07 mm Hg ( 25 °C)
• Melting Point: 51-53 °C(lit.)
• Refractive Index: 1.567
• Boiling Point: 221 °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.: 0.02g/l
• Water Solubility.: INSOLUBLE
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 179.930033
• Heavy Atom Count: 9
• Complexity: 84.3
• Transport DOT Label: Poison

Purity/Quality:

99% ^*data from raw suppliers

1,2,3-Trichlorobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,T
• Hazard Codes: Xn,T,N
• Statements: 22-36/37/38-38-39/23/24/25-23/24/25-52/53-51/53
• Safety Statements: 36/37-26-45-61-36

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Solvents -> Chlorinated Aromatics
• Canonical SMILES: C1=CC(=C(C(=C1)Cl)Cl)Cl
• 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.
• Uses: Detoxification by catalytic hydrotreatment of 1,2,3-Trichlorobenzene is used for the disposal of hazardous organic waste liquids. As constituent of trichlorobenzene mixt used for termite control. As transformer fluid, dye carrier & solvent. Solvent for high melting products, Coolant in electrical installations and glass tempering. In polyester dyeing, lubricants, Heat transfer medium. As chemical intermediate for 2,3-dichlorophenol.

Technology Process of 1,2,3-Trichlorobenzene

There total 63 articles about 1,2,3-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: 87.0%

LINDANE (58-89-9,6108-11-8,8073-23-2) → 1,3,5-trichlorobenzene (108-70-3,63697-19-8) + 1,2,4-Trichlorobenzene (120-82-1,63697-18-7) + 1,2,3-trichlorobenzene (87-61-6)

Guidance literature:

With ammonia; at 25 ℃; Further Variations:; Reagents; Product distribution;

DOI:10.1016/S0045-6535(99)00428-2

Reference yield: 40.5%

1,2,3,5-tetrachlorobenzene (634-90-2) → 1,3,5-trichlorobenzene (108-70-3,63697-19-8) + 1,2,4-Trichlorobenzene (120-82-1,63697-18-7) + 1,2,3-trichlorobenzene (87-61-6)

Guidance literature:

With radical anion of p,p'-di-tert-butylbiphenyl; triethylamine; In tetrahydrofuran; at 45 ℃; Irradiation;

DOI:10.1021/jo00011a037

Reference yield:

2,4,6-Trichlorophenol (88-06-2,67471-29-8) → Pentachlorophenol (87-86-5,67471-28-7) + 1,3,5-trichlorobenzene (108-70-3,63697-19-8) + 1,2,4-Trichlorobenzene (120-82-1,63697-18-7) + 1,2,3-trichlorobenzene (87-61-6)

Guidance literature:

With oxygen; fly ash; at 400 ℃; Further byproducts given. Title compound not separated from byproducts; Formation of xenobiotics;

DOI:10.1016/S0045-6535(00)00244-7

upstream raw materials:

pyridine

alpha-hexachlorocyclohexane

quinoline

ethanol

Downstream raw materials:

3-hydroxy-3-phenyl-3H-phenanthro[9,10-c]furan-1-one

2,3-dichloroanisole

2,6-dichloroanisole

2,3,4-trichloro-1-(trifluoromethyl)benzene

Refernces

• 1、 Liang, Xu,Li, Minzhi,Mack, John,Lobb, Kevin,Zhu, Weihua. "Iron(iii)porphyrin electrocatalyzed enantioselective carbon-chloride bond cleavage of hexachlorocyclohexanes (HCHs): Combined experimental investigation and theoretical calculations". . p. 11470 - 11476. Retrieved 2018/08/28.
• 2、 Zhu, Weihua,Ni, Cui,Liang, Lili,Li, Junwen,Li, Minzhi,Ou, Zhongping,Kadish, Karl M.. "Electroreductive dechlorination of α-hexachlorocyclohexane catalyzed by iron porphyrins in nonaqueous media". . p. 519 - 527. Retrieved 2014/07/21.