1-Chloro-2-[dichloro(phenyl)methyl]benzene

Base Information

• Chemical Name: 1-Chloro-2-[dichloro(phenyl)methyl]benzene
• CAS No.: 3509-85-1
• Molecular Formula: C13H9Cl3
• Molecular Weight: 271.573
• Hs Code.: 2903999090
• European Community (EC) Number: 641-539-7
• UNII: YY37RF6AKC
• DSSTox Substance ID: DTXSID10510145
• Nikkaji Number: J737.040G
• Wikidata: Q82368245
• Mol file: 3509-85-1.mol

Synonyms:3509-85-1;1-Chloro-2-[dichloro(phenyl)methyl]benzene;1-Chloro-2-(dichlorophenylmethyl)benzene;Dichloro(o-chlorophenyl)phenylmethane;(2-Chlorophenyl)phenyldichloromethane;1-Chloro-2-(dichloro(phenyl)methyl)benzene;Benzene, 1-chloro-2-(dichlorophenylmethyl)-;YY37RF6AKC;SCHEMBL6337202;DTXSID10510145;Methane, dichloro(o-chlorophenyl)phenyl-;FT-0664667

Chemical Property of 1-Chloro-2-[dichloro(phenyl)methyl]benzene

Chemical Property:

• Melting Point: 157-160 °C
• Boiling Point: 157-160 °C(Press: 1 Torr)
• PSA: 0.00000
• Density: 1.328±0.06 g/cm3(Predicted)
• LogP: 5.01870
• Storage Temp.: Amber Vial, Refrigerator, Under inert atmosphere
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 269.976983
• Heavy Atom Count: 16
• Complexity: 221

Purity/Quality:

98.5% ^*data from raw suppliers

1-Chloro-2-(dichlorophenylmethyl)benzene ^*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(C2=CC=CC=C2Cl)(Cl)Cl
• Uses: 1-Chloro-2-(dichlorophenylmethyl)benzene is an intermediate used in the preparation of 2-chlorotrityl chloride resins. 1-Chloro-2-(dichlorophenylmethyl)benzene is an impurity of the antifungal agent Clotrimazole (C587400).

Technology Process of 1-Chloro-2-[dichloro(phenyl)methyl]benzene

There total 3 articles about 1-Chloro-2-[dichloro(phenyl)methyl]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: 96.0%

1-chloro-2-(trifluoromethyl)benzene (88-16-4) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 1-chloro-2-(dichloro(phenyl)methyl)benzene (3509-85-1)

Guidance literature:

With aluminium trichloride; In 1,2-dichloro-ethane; at 0 ℃; for 3h;

DOI:10.1016/0040-4039(96)00733-2

Reference yield:

(2-chlorophenyl)(phenyl)methanone (5162-03-8) → 1-chloro-2-(dichloro(phenyl)methyl)benzene (3509-85-1)

Guidance literature:

With phosphorus pentachloride;

Reference yield:

→ 1-chloro-2-(dichloro(phenyl)methyl)benzene (3509-85-1)

Guidance literature:

upstream raw materials:

(2-chlorophenyl)(phenyl)methanone

1-chloro-2-(trifluoromethyl)benzene

benzene

Downstream raw materials:

o-chlorotriphenylmethanol

10-<2-Chlor-benzhydryliden>-anthron

Refernces

• 1、 Ramchandani,Wakharkar,Sudalai. "AlCl3-catalyzed regiospecific alkylation of aromatics with chlorobenzotrifluorides: A high yield preparation of 1,1-dichlorodiphenylmethanes". . p. 4063 - 4064. Retrieved 2007/10/03.