2-Chloro-p-xylene

Base Information

• Chemical Name: 2-Chloro-p-xylene
• CAS No.: 95-72-7
• Deprecated CAS: 35442-53-6
• Molecular Formula: C8H9Cl
• Molecular Weight: 140.612
• Hs Code.: 2903999090
• European Community (EC) Number: 202-444-2,260-525-8
• NSC Number: 60148
• UNII: 3Y9K758WLV
• DSSTox Substance ID: DTXSID9059125
• Nikkaji Number: J37.676K
• Wikidata: Q27894523
• Mol file: 95-72-7.mol

Synonyms:2-chloro-p-xylene

Chemical Property of 2-Chloro-p-xylene

Chemical Property:

• Appearance/Colour: Clear colourless to light yellow liquid
• Melting Point: 2-3 °C
• Refractive Index: n20/D 1.524(lit.)
• Boiling Point: 183.8 °C at 760 mmHg
• Flash Point: 57.2 °C
• PSA: 0.00000
• Density: 1.049 g/cm³
• LogP: 2.95680
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform, Ethyl Acetate
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 140.0392780
• Heavy Atom Count: 9
• Complexity: 90.6

Purity/Quality:

97% ^*data from raw suppliers

2-Chloro-p-xylene ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)C)Cl
• Uses: 2-Chloro-1,4-dimethylbenzene may be used in chemical synthesis studies.

Technology Process of 2-Chloro-p-xylene

There total 20 articles about 2-Chloro-p-xylene 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%

para-xylene (106-42-3) → 2-chloro-1,4-dimethyl-benzene (95-72-7)

Guidance literature:

With hydrogenchloride; 2,2,2-trifluoroethanol; dihydrogen peroxide; at 25 ℃; for 15h;

DOI:10.1021/ja0364524

Reference yield: 33.0%

para-xylene (106-42-3) → 2-chloro-1,4-dimethyl-benzene (95-72-7) + 4-Methylbenzyl chloride (104-82-5)

Guidance literature:

With N-chloro-succinimide; barium(II) chloride; at 102 ℃; for 0.0666667h; under 2625.26 Torr; chemoselective reaction; Microwave irradiation; Darkness;

DOI:10.1016/j.tet.2010.01.033

Reference yield: 1.0%

para-xylene (106-42-3) + methanesulfonyl chloride (124-63-0) → (2,5-Dimethylphenyl) methyl sulfone (6462-29-9) + 2-chloro-1,4-dimethyl-benzene (95-72-7)

Guidance literature:

With aluminium trichloride; at 25 ℃; for 1h;

DOI:10.1055/s-1984-30774

upstream raw materials:

para-xylene

2,5-Dimethylaniline

2,5-dimethylbenzenesulfonic acid

3,6-dimethoxy-3,6-dimethylcyclohexa-1,4-diene

Downstream raw materials:

Trimethyl-(2,5-dimethylphenyl)silane

(2,5-dimethylphenyl)(p-tolyl)methanone

3-chloro-4-methylbenzoic acid

1-chloro-2,5-dimethyl-4-nitrobenzene