5-Bromo-1,3-benzenedicarbonitrile

Base Information

• Chemical Name: 5-Bromo-1,3-benzenedicarbonitrile
• CAS No.: 160892-07-9
• Molecular Formula: C8H3 Br N2
• Molecular Weight: 207.029
• Hs Code.: 2926909090
• Mol file: 160892-07-9.mol

Synonyms:5-Bromo-1,3-benzenedicarbonitrile;5-Bromoisophthalonitrile

Chemical Property of 5-Bromo-1,3-benzenedicarbonitrile

Chemical Property:

• Vapor Pressure: 0.015mmHg at 25°C
• Boiling Point: 257 ºC
• Flash Point: 109 ºC
• PSA: 47.58000
• Density: 1.68
• LogP: 2.19246
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

≥99.0% ^*data from raw suppliers

5-Bromoisophthalonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 5-Bromo-1,3-benzenedicarbonitrile

There total 4 articles about 5-Bromo-1,3-benzenedicarbonitrile 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: 85.0%

5-bromo-1,3-benzenedicarboxamide (160892-06-8) → 5-bromo-1,3-benzenedicarbonitrile (160892-07-9)

Guidance literature:

With polyphosphate ester; In chloroform; for 16h; Heating;

Reference yield: 73.1%

C16H23BrN2O2 (820231-67-2) → 5-bromo-1,3-benzenedicarbonitrile (160892-07-9)

Guidance literature:

With thionyl chloride; for 1.5h; Heating / reflux;

Reference yield:

5-bromoisophthalic acid (23351-91-9) → 5-bromo-1,3-benzenedicarbonitrile (160892-07-9)

Guidance literature:

Multi-step reaction with 3 steps

1: thionyl chloride / toluene; dimethylformamide / 3.5 h / Heating

2: concd. ammonium hydroxide / 1.) 0 deg C, 10 min, 2.) RT, 1h

3: 85 percent / polyphosphate ester / CHCl₃ / 16 h / Heating

With ammonium hydroxide; thionyl chloride; polyphosphate ester; In chloroform; N,N-dimethyl-formamide; toluene;

upstream raw materials:

5-bromo-1,3-benzenedicarboxamide

5-bromoisophthalic acid

5-bromobenzene-1,3-dicarboxylic acid chloride

C₁₆H₂₃BrN₂O₂

Downstream raw materials:

2,2'-(5-bromo-1,3-phenylene)bis<4,5-dihydroimidazole>

Refernces

• 1、 Doyle, Timothy J.,Haseltine, John. "Synthesis, Structure, and NMR Characterization of a Novel Metacyclophane". . p. 1417 - 1420. Retrieved 2007/10/02.