1-Bromo-4-[chloro(phenyl)methyl]benzene

Base Information

• Chemical Name: 1-Bromo-4-[chloro(phenyl)methyl]benzene
• CAS No.: 13391-38-3
• Molecular Formula: C13H10 Br Cl
• Molecular Weight: 281.579
• Hs Code.: 2903999090
• NSC Number: 165821
• DSSTox Substance ID: DTXSID20304451
• Nikkaji Number: J307.524I
• Mol file: 13391-38-3.mol

Synonyms:1-Bromo-4-[chloro(phenyl)methyl]benzene;13391-38-3;1-(alpha-Chlorobenzyl)-4-bromobenzene;4-Bromobenzhydryl chloride;NSC165821;SCHEMBL14033765;DTXSID20304451;NOMHRYCAVGPGEC-UHFFFAOYSA-N;AKOS012736602;NSC-165821;4-BROMO-ALPHA-CHLORODIPHENYLMETHANE;1-Bromo-4-[chloro(phenyl)methyl]benzene #

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

Chemical Property:

• Vapor Pressure: 5.94E-05mmHg at 25°C
• Boiling Point: 356.6°C at 760 mmHg
• Flash Point: 193.7°C
• PSA: 0.00000
• Density: 1.428g/cm³
• LogP: 4.77730
• XLogP3: 4.7
• 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:

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)Br)Cl

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

There total 8 articles about 1-Bromo-4-[chloro(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%

phenyl(4-bromophenyl)methanol (29334-16-5) → 4-bromo-benzhydryl chloride (13391-38-3)

Guidance literature:

With thionyl chloride; In dichloromethane; at 25 ℃; for 1h;

DOI:10.1021/jm000228x

Reference yield:

((4-bromophenyl)(phenyl)methyl)(phenyl)sulfane → 4-bromo-benzhydryl chloride (13391-38-3)

Guidance literature:

With (Dichloroiodo)benzene; In dichloromethane; at 20 ℃; for 0.0833333h; Inert atmosphere;

DOI:10.1021/acs.orglett.7b00077

Reference yield:

(4-bromophenyl)(phenyl)methanone (90-90-4) → 4-bromo-benzhydryl chloride (13391-38-3)

Guidance literature:

Multi-step reaction with 2 steps

1: NaBH₄ / propan-2-ol

2: HCl, Drierite / CH₂Cl₂

With hydrogenchloride; calcium sulfate; sodium tetrahydroborate; In dichloromethane; isopropyl alcohol;

DOI:10.1021/jo01284a600

upstream raw materials:

phenyl(4-bromophenyl)methanol

4-bromo-benzaldehyde

(4-bromophenyl)(phenyl)methanone

phenylmagnesium bromide

Downstream raw materials:

1,3-Bis(4-bromphenyl)-1,3-diphenyl-1-propen

4'-bromo-3α-(diphenylmethoxy)tropane

tert-butyl 4-[(4-bromophenyl)(phenyl)methyl]-1-piperazinecarboxylate

1,2-diphenyl-1,2-di-p-bromophenylethane