1-[Bromo(phenyl)methyl]-4-chlorobenzene

Base Information

• Chemical Name: 1-[Bromo(phenyl)methyl]-4-chlorobenzene
• CAS No.: 948-54-9
• Molecular Formula: C13H10 Br Cl
• Molecular Weight: 281.579
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID40464147
• Mol file: 948-54-9.mol

Synonyms:948-54-9;1-(Bromophenylmethyl)-4-chlorobenzene;1-[bromo(phenyl)methyl]-4-chlorobenzene;1-(bromo-phenyl-methyl)-4-chloro-benzene;1-(bromo(phenyl)methyl)-4-chlorobenzene;Benzene, 1-(bromophenylmethyl)-4-chloro-;SCHEMBL1528588;DTXSID40464147;MPUGMNSVMMFEOE-UHFFFAOYSA-N;AKOS012745057;1-[bromo(phenyl)methyl]4-chlorobenzene;FT-0711676

Chemical Property of 1-[Bromo(phenyl)methyl]-4-chlorobenzene

Chemical Property:

• Vapor Pressure: 0.000249mmHg at 25°C
• Refractive Index: 1.617
• Boiling Point: 334.4°Cat760mmHg
• Flash Point: 184.8°C
• PSA: 0.00000
• Density: 1.446g/cm³
• LogP: 4.82430
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 279.96544
• Heavy Atom Count: 15
• Complexity: 181

Purity/Quality:

99%, ^*data from raw suppliers

1-(Bromophenylmethyl)-4-chlorobenzene ^*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=C(C=C2)Cl)Br

Technology Process of 1-[Bromo(phenyl)methyl]-4-chlorobenzene

There total 2 articles about 1-[Bromo(phenyl)methyl]-4-chlorobenzene 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: 89.0%

(4-chlorophenyl)phenylmethanol (119-56-2) → 4-chlorodiphenylmethyl bromide (948-54-9)

Guidance literature:

With phosphorus pentoxide; potassium bromide; In acetonitrile; at 20 ℃; for 1h;

DOI:10.1016/j.tetlet.2015.11.078

Reference yield:

4-chlorobenzophenone (134-85-0) → 4-chlorodiphenylmethyl bromide (948-54-9)

Guidance literature:

Multi-step reaction with 2 steps

2: PBr₃

With phosphorus tribromide;

DOI:10.1016/0960-894X(96)00018-2

Reference yield: 78.0%

ethyl[(2-mercapto-4,5-dihydronaphtho[1,2-d]thiazol-6-yl)oxy]acetate + 4-chlorodiphenylmethyl bromide (948-54-9) → [(2-(4-Chlorophenyl)(phenyl)methylthio-4,5-dihydronaphtho[1,2-d]thiazol-6-yl)oxy]acetic Acid

Guidance literature:

upstream raw materials:

(4-chlorophenyl)phenylmethanol

4-chlorobenzophenone

Downstream raw materials:

4-chlorodiphenymethyl p-toluenethiosulfonate

4-Chlor-benzhydryl-thiocyanat

diethyl <(4-chlorophenyl) phenylmethyl> phosphonate

-aethyl-aether