3-(4-Bromophenyl)benzonitrile

Base Information

• Chemical Name: 3-(4-Bromophenyl)benzonitrile
• CAS No.: 192699-42-6
• Molecular Formula: C13H8 Br N
• Molecular Weight: 258.117
• DSSTox Substance ID: DTXSID00362711
• Wikidata: Q82146042
• Mol file: 192699-42-6.mol

Synonyms:192699-42-6;3-(4-bromophenyl)benzonitrile;4-Bromo-3'-cyanobiphenyl;4'-BROMO-[1,1'-BIPHENYL]-3-CARBONITRILE;[1,1'-Biphenyl]-3-carbonitrile, 4'-bromo-;SCHEMBL3988152;4-BROMO-3-CYANOBIPHENYL;4'-Bromobiphenyl-3-carbonitrile;DTXSID00362711;4'-Bromo-biphenyl-3-carbonitrile;MFCD01318383;AKOS015891466

Chemical Property of 3-(4-Bromophenyl)benzonitrile

Chemical Property:

• Boiling Point: 373.9°Cat760mmHg
• Flash Point: 179.9°C
• PSA: 23.79000
• Density: 1.48g/cm³
• LogP: 3.98778
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 256.98401
• Heavy Atom Count: 15
• Complexity: 247

Purity/Quality:

99% ^*data from raw suppliers

4-BROMO-3'-CYANOBIPHENYL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)C2=CC=C(C=C2)Br)C#N

Technology Process of 3-(4-Bromophenyl)benzonitrile

There total 1 articles about 3-(4-Bromophenyl)benzonitrile 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: 33.0%

1,4-bromoiodobenzene (589-87-7) + (3‐cyanophenyl)boronic acid (150255-96-2) → 4'-bromo-[1,1'-biphenyl]-3-carbonitrile (192699-42-6)

Guidance literature:

With sodium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In DMF (N,N-dimethyl-formamide); water; at 20 - 75 ℃;

Reference yield: 76.0%

4'-bromo-[1,1'-biphenyl]-3-carbonitrile (192699-42-6) + 2-{dispiro[fluorene-9,9'-anthracene-10',9''-fluoren]-7'-yl}-4,4,5,5-tetramethyl-1,3,2-dioxaborolane → C51H31N

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In tetrahydrofuran; for 8h; Reflux;

Reference yield: 47.0%

4'-bromo-[1,1'-biphenyl]-3-carbonitrile (192699-42-6) + 7-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)dibenzo[c,h]acridine → 4-(dibenzo[c,h]acridin-7-yl)-[1,1':4',1-terphenyl]-3-carbonitrile

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium carbonate; In tetrahydrofuran; water; toluene; at 70 - 80 ℃; Inert atmosphere;

upstream raw materials:

1,4-bromoiodobenzene

(3‐cyanophenyl)boronic acid

Downstream raw materials:

4'-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-biphenyl-3-carbonitrile