2,4-Dichlorotoluene

Base Information

• Chemical Name: 2,4-Dichlorotoluene
• CAS No.: 95-73-8
• Molecular Formula: C7H6Cl2
• Molecular Weight: 161.031
• Hs Code.: 29036990
• European Community (EC) Number: 202-445-8
• ICSC Number: 1727
• NSC Number: 8764
• UN Number: 2810,3082
• UNII: 3S32N6LG3X
• DSSTox Substance ID: DTXSID5040702
• Nikkaji Number: J3.568H
• Wikidata: Q27155532
• Mol file: 95-73-8.mol

Synonyms:2,4-dichlorotoluene

Chemical Property of 2,4-Dichlorotoluene

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 0.502mmHg at 25°C
• Melting Point: -14 °C
• Refractive Index: n20/D 1.546(lit.)
• Boiling Point: 198.6 °C at 760 mmHg
• Flash Point: 79.4 °C
• PSA: 0.00000
• Density: 1.242 g/cm³
• LogP: 3.30180
• Storage Temp.: Store below +30°C.
• Water Solubility.: immiscible
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 159.9846556
• Heavy Atom Count: 9
• Complexity: 92.9
• Transport DOT Label: Poison

Purity/Quality:

≥99% ^*data from raw suppliers

2,4-Dichlorotoluene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Chlorinated Aromatics
• Canonical SMILES: CC1=C(C=C(C=C1)Cl)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.
• Effects of Short Term Exposure: The substance is mildly irritating to the skin.
• Uses: 2,4-Dichlorotoluene was used as an oxidant and a solvent during anaerobic catalytic oxidation of secondary alcohols by using an in situ (N-heterocyclic carbene)-Ni(0) system. It was used as growth supplement in the culture media of Ralstonia sp. strain PS12. It was used to develop a sensitive method based on solid-phase microextraction followed by gas chromatography-tandem mass spectrometry for the analysis of chlorotoluenes in water samples.

Technology Process of 2,4-Dichlorotoluene

There total 40 articles about 2,4-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: 91.0%

1-bromo-2,4-dichlorobenzene (1193-72-2) + dimethyl zinc(II) (544-97-8) → 2,4-dichlorotoluene (95-73-8)

Guidance literature:

(1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In 1,4-dioxane; for 2h; Heating;

DOI:10.1016/j.tetlet.2003.11.018

Reference yield: 85.0%

4-methylbenzene-1,3-diamine (95-80-7,71111-07-4) → 2,4-dichlorotoluene (95-73-8)

Guidance literature:

With potassium bisulfite; potassium chloride; cobalt(II) chloride; In water; at 70 - 75 ℃; for 2.33333h; Concentration; Temperature;

Reference yield: 68.9%

para-chlorotoluene (106-43-4) → 2,4-dichlorotoluene (95-73-8)

Guidance literature:

With aluminum (III) chloride; iron(III) chloride; chlorine; calcium chloride; zinc(II) chloride; In water; at 39 ℃; for 18h; Temperature; Molecular sieve; Autoclave; Inert atmosphere;

upstream raw materials:

para-chlorotoluene

2-methylchlorobenzene

4-methylbenzene-1,3-diamine

toluene

Downstream raw materials:

2,4-dichloro-5-methyl-benzophenone

ortho-methylbenzoic acid

2-methylchlorobenzene

3-chloro-4-methylbenzoic acid

Refernces

• 1、 Jaiswal, Amit K.,Prasad, Pragati K.,Young, Rowan D.. "Nucleophilic Substitution of Aliphatic Fluorides via Pseudohalide Intermediates". . p. 6290 - 6294. Retrieved 2019/04/26.
• 2、 -. "A method of preparing O-toluene". Paragraph 0027-0034. . Retrieved 2017/08/31.