1,2-Dichlorobenzene

Base Information

• Chemical Name: 1,2-Dichlorobenzene
• CAS No.: 95-50-1
• Molecular Formula: C6H4Cl2
• Molecular Weight: 147.004
• Hs Code.: HYSICAL AND CHEMICAL PROPERTIES PHYSICAL STATE
• European Community (EC) Number: 202-425-9
• ICSC Number: 1066
• NSC Number: 60644
• UN Number: 1591
• UNII: 6PJ93I88XL
• DSSTox Substance ID: DTXSID6020430
• Nikkaji Number: J3.951I
• Wikipedia: 1,2-Dichlorobenzene
• Wikidata: Q2609815
• Metabolomics Workbench ID: 130082
• ChEMBL ID: CHEMBL298461
• Mol file: 95-50-1.mol

Synonyms:1,2-dichlorobenzene;2-dichlorobenzene;o-dichlorobenzene

Chemical Property of 1,2-Dichlorobenzene

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: 1.21mmHg at 25°C
• Melting Point: -15 °C
• Refractive Index: 1.5510
• Boiling Point: 180.479 °C at 760 mmHg
• Flash Point: 65.556 °C
• PSA: 0.00000
• Density: 1.297 g/cm³
• LogP: 2.99340
• Water Solubility.: 0.13 g/L (20℃)
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 145.9690055
• Heavy Atom Count: 8
• Complexity: 62.9
• Transport DOT Label: Poison

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xn, N, Xi, F, T
• Hazard Codes: Xn:Harmful;;
• Statements: R22:; R36/37/38:; R50/53:
• Safety Statements: S23:; S60:; S61:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Chlorinated Aromatics
• Canonical SMILES: C1=CC=C(C(=C1)Cl)Cl
• Inhalation Risk: A harmful contamination of the air will be reached rather slowly on evaporation of this substance at 20 °C.
• Effects of Short Term Exposure: The substance is irritating to the eyes, skin and respiratory tract. The substance may cause effects on the central nervous system and liver. Exposure could cause lowering of consciousness.
• Effects of Long Term Exposure: The substance defats the skin, which may cause dryness or cracking. The substance may have effects on the kidneys and blood.

Technology Process of 1,2-Dichlorobenzene

There total 156 articles about 1,2-Dichlorobenzene 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: 98.0%

1,2,4,5-tetrachlorobenzene (95-94-3) → para-dichlorobenzene (106-46-7,84348-21-0) + 1,2-dichloro-benzene (95-50-1) + 1,3-Dichlorobenzene (541-73-1) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1)

Guidance literature:

With potassium hydroxide; hydrogen; palladium on activated charcoal; In water; at 50 ℃; for 0.92h; Yields of byproduct given;

DOI:10.1021/jo00071a041

Reference yield: 73.0%

1,2,4,5-tetrachlorobenzene (95-94-3) → para-dichlorobenzene (106-46-7,84348-21-0) + chlorobenzene (108-90-7) + 1,2-dichloro-benzene (95-50-1) + 1,3-Dichlorobenzene (541-73-1) + 1,2,4-Trichlorobenzene (120-82-1,63697-18-7) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1)

Guidance literature:

With potassium hydroxide; hydrogen; palladium on activated charcoal; In water; at 50 ℃; for 0.5h; Product distribution; Aliquat 336 and other phase-transfer catalysts, different multiphase systems, different time and solvents;

DOI:10.1021/jo00071a041

Reference yield: 45.0%

para-dichlorobenzene (106-46-7,84348-21-0) → 1,2-dichloro-benzene (95-50-1) + 1,3-Dichlorobenzene (541-73-1)

Guidance literature:

With aluminum (III) chloride; lithium chloride; In melt; at 170 ℃; for 4h; Reagent/catalyst; Time; Catalytic behavior; Autoclave; Inert atmosphere;

DOI:10.1039/c4cc04910a

upstream raw materials:

2-chlorobenzenediazonium

2-bromo-1-chlorobenzene

2-monochlorophenol

2-nitrophenyl bromide

Downstream raw materials:

dichloro-(2-chloro-phenyl)-methyl-silane

chlorobenzene

ortho-diethylbenzene

1,2-dichloro-4-ethylbenzene

Refernces

• 1、 Bodrikov, I. V.,Pryakhina, V. I.,Titov, D. Yu.,Titov, E. Yu.,Vorotyntsev, A. V.. "Synthesis of Decorated Carbon Structures with Encapsulated Components by Low-Voltage Electric Discharge Treatment". . p. 60 - 69. Retrieved 2022/03/17.
• 2、 Badgoti, Ranveer Singh,Dandia, Anshu,Parewa, Vijay,Rathore, Kuldeep S.,Saini, Pratibha,Sharma, Ruchi. "The graphite-catalyzed: ipso -functionalization of arylboronic acids in an aqueous medium: metal-free access to phenols, anilines, nitroarenes, and haloarenes". . p. 18040 - 18049. Retrieved 2021/05/29.