2,6-Dichlorotoluene

Base Information

• Chemical Name: 2,6-Dichlorotoluene
• CAS No.: 118-69-4
• Molecular Formula: C7H6Cl2
• Molecular Weight: 161.031
• Hs Code.: 29036990
• European Community (EC) Number: 204-269-7
• ICSC Number: 1728
• NSC Number: 60722
• UN Number: 3082
• UNII: RVM09757WW
• DSSTox Substance ID: DTXSID3040697
• Nikkaji Number: J2.476G
• Wikidata: Q27288309
• ChEMBL ID: CHEMBL3182206
• Mol file: 118-69-4.mol

Synonyms:2,6-DICHLOROTOLUENE;118-69-4;1,3-Dichloro-2-methylbenzene;Benzene, 1,3-dichloro-2-methyl-;Toluene, 2,6-dichloro-;1,3-dichloro-2-methyl-benzene;UNII-RVM09757WW;RVM09757WW;DTXSID3040697;HSDB 4020;EINECS 204-269-7;NSC 60722;NSC-60722;AI3-26487;EC 204-269-7;2,6-dichlortoluol;NSC60722;Toluene,6-dichloro-;2,6-dichloro-toluene;Benzene,dichloromethyl-;2,6-Dichloro Toluene;SCHEMBL112040;Benzene,3-dichloro-2-methyl-;CHEMBL3182206;DTXCID1020697;2,6-Dichlorotoluene, >=99%;1,3-Dichloro-2-methylbenzene #;Benceno, 1,3-dicloro-2-metil-;STR01117;Tox21_302049;MFCD00000576;AKOS009158798;2,6-Dichlorotoluene, analytical standard;NCGC00163990-01;NCGC00255492-01;CAS-118-69-4;AM20050049;D0422;FT-0610637;EN300-30895;2,6-Dichlorotoluene 100 microg/mL in Methanol;A804075;J-507460;Q27288309;Z317043666

Chemical Property of 2,6-Dichlorotoluene

Chemical Property:

• Appearance/Colour: White crystalline power
• Vapor Pressure: 0.561mmHg at 25°C
• Melting Point: 2 °C
• Refractive Index: n20/D 1.55(lit.)
• Boiling Point: 196.4 °C at 760 mmHg
• Flash Point: 82.8 °C
• PSA: 0.00000
• Density: 1.254 g/cm³
• LogP: 3.30180
• Storage Temp.: Store below +30°C.
• Solubility.: 26mg/l insoluble
• Water Solubility.: 24 mg/L (20 ºC)
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 159.9846556
• Heavy Atom Count: 9
• Complexity: 82.9

Purity/Quality:

≥99% ^*data from raw suppliers

1,3-Dichloro-2-methyl-benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,Xn,Xi
• Hazard Codes: T,Xi,Xn
• Statements: 22-23-37/38-40-41-36/37/38
• Safety Statements: 26-36/37/39-45-24/25-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Halogenated Monoaromatics
• Canonical SMILES: CC1=C(C=CC=C1Cl)Cl
• Inhalation Risk: No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
• Uses: 2,6-Dichlorotoluene is an important organic intermediate. It can be used in agrochemical, pharmaceutical and dyestuff field.

Technology Process of 2,6-Dichlorotoluene

There total 23 articles about 2,6-Dichlorotoluene 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: 93.0%

3,5-dichloro-4-methylbenzenesulphonic acid (2225-18-5) → 2,6-dichlorotoluene (118-69-4)

Guidance literature:

With copper(I) oxide; sulfuric acid; In quinoline; at 220 ℃; for 3h; Temperature; Activation energy;

DOI:10.1021/op9800515

Reference yield: 89.0%

3-chloro-2-methylbenzenamine (87-60-5) → 2,6-dichlorotoluene (118-69-4)

Guidance literature:

3-chloro-2-methylbenzenamine; With potassium nitrite; potassium chloride; In water; at 8 - 90 ℃; for 0.666667h;

With nickel nitrate; potassium chloride; In water; at 60 ℃; for 2.83333h; Concentration; Temperature; Reagent/catalyst;

Reference yield: 82.0%

1-methyl-pyrrolidin-2-one (872-50-4,26138-58-9) + potassium methanolate (865-33-8) + metsulfovax (21452-18-6) → 2,6-dichlorotoluene (118-69-4)

Guidance literature:

With dimethyl sulfate;

upstream raw materials:

2-methylchlorobenzene

2,6-dichlorobenzaldehyde hydrazone

3-nitro-o-tolylamine

p-toluenesulfonyl chloride

Downstream raw materials:

1-(2,4-dichloro-3-methylphenyl)ethanone

(4-Chloro-phenyl)-[1-(2-chloro-phenyl)-2-(2,6-dichloro-phenyl)-ethyl]-amine

(4-Chloro-phenyl)-[1-(3-chloro-phenyl)-2-(2,6-dichloro-phenyl)-ethyl]-amine

9,10-bis(3-chloro-2-methylphenyl)-9,10-dihydroxy-9,10-dihydrophenanthrene

Refernces

• 1、 -. "Method for preparing 2, 6-dichlorotoluene by chlorination of chlorine-containing organic solvent in subcritical state". Paragraph 0018-0026. . Retrieved 2021/09/21.
• 2、 Weidmann, Niels,Ketels, Marthe,Knochel, Paul. "Sodiation of Arenes and Heteroarenes in Continuous Flow". supporting information. p. 10748 - 10751. Retrieved 2018/07/30.