1-(Dichloromethyl)-2-(trichloromethyl)benzene

Base Information

• Chemical Name: 1-(Dichloromethyl)-2-(trichloromethyl)benzene
• CAS No.: 2741-57-3
• Molecular Formula: C8H5Cl5
• Molecular Weight: 278.393
• Hs Code.: 2903999090
• European Community (EC) Number: 220-371-4
• NSC Number: 155825,107974
• UNII: XS8ZP7BKF2
• DSSTox Substance ID: DTXSID30181836
• Nikkaji Number: J140.686H
• Wikidata: Q83052459
• Mol file: 2741-57-3.mol

Synonyms:1-(Dichloromethyl)-2-(trichloromethyl)benzene;2741-57-3;alpha,alpha,alpha,alpha',alpha'-Pentachloro-2-xylene;XS8ZP7BKF2;Benzene, 1-(dichloromethyl)-2-(trichloromethyl)-;EINECS 220-371-4;NSC-107974;NSC-155825;EC 220-371-4;Alpha,alpha,alpha,alpha',alpha'-pentachloro-O-xylene;o-Xylene,.alpha.,.alpha.,.alpha.',.alpha.'-pentachloro-;NSC107974;UNII-XS8ZP7BKF2;C8H5Cl5;SCHEMBL1845725;DTXSID30181836;2-(Dichloromethyl)benzotrichloride;C(Cl)(Cl)(Cl)c1ccccc1C(Cl)Cl;MFCD00128834;NSC155825;AKOS015890658;NSC 107974;NSC 155825;FT-0634464;o-Xylene, .alpha.,.alpha.,.alpha.,.alpha.',.alpha.'-pentachloro-

Chemical Property of 1-(Dichloromethyl)-2-(trichloromethyl)benzene

Chemical Property:

• Vapor Pressure: 0.00112mmHg at 25°C
• Refractive Index: 1.577
• Boiling Point: 310.16 °C at 760 mmHg
• Flash Point: 142.074 °C
• PSA: 0.00000
• Density: 1.541 g/cm³
• LogP: 4.98950
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 277.880439
• Heavy Atom Count: 13
• Complexity: 162

Purity/Quality:

99.9% ^*data from raw suppliers

1-(Dichloromethyl)-2-(trichloromethyl)benzene 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(Cl)Cl)C(Cl)(Cl)Cl

Technology Process of 1-(Dichloromethyl)-2-(trichloromethyl)benzene

There total 5 articles about 1-(Dichloromethyl)-2-(trichloromethyl)benzene 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: 12.5%

α,α,α',α'-tetrachloro-o-xylene (25641-99-0) → o-dichloromethyltrichloromethylbenzene (2741-57-3)

Guidance literature:

With chlorine; In tetrachloromethane; for 24h; Heating; Irradiation;

DOI:10.1515/znb-1998-0803

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + toluene (108-88-3,15644-74-3,16713-13-6) → 1,4-bis(trichloromethyl)benzene (68-36-0) + o-dichloromethyltrichloromethylbenzene (2741-57-3)

Guidance literature:

With hydrogenchloride; zinc(II) chloride; at 75 ℃;

Reference yield:

o-xylene (95-47-6) → o-dichloromethyltrichloromethylbenzene (2741-57-3)

Guidance literature:

With phosphorus pentachloride; at 200 ℃; im Einschlussrohr;

upstream raw materials:

o-xylene

formaldehyd

toluene

α,α,α',α'-tetrachloro-o-xylene

Downstream raw materials:

3-chloro-1(3H)-isobenzofuranone

1-difluoromethyl-2-trifluoromethyl-benzene

o-trifluoromethyl-α,α-dichlorotoluene

o-carboxybenzaldehyde