4-Bromo-2,6-dimethylbenzonitrile

Base Information

• Chemical Name: 4-Bromo-2,6-dimethylbenzonitrile
• CAS No.: 5757-66-4
• Molecular Formula: C9H8 Br N
• Molecular Weight: 210.073
• Hs Code.: 2926909090
• European Community (EC) Number: 846-314-9
• DSSTox Substance ID: DTXSID10448070
• Nikkaji Number: J331.861C
• Wikidata: Q72454882
• Mol file: 5757-66-4.mol

Synonyms:4-bromo-2,6-dimethylbenzonitrile;5757-66-4;4-bromo-2,6-dimethylbenzenecarbonitrile;4-bromo-2,6-dimethyl-benzonitrile;SCHEMBL145353;DTXSID10448070;LAYDFDMDUCVHBO-UHFFFAOYSA-N;4-bromo-2,6-dimethylben-zonitrile;BCP30823;AB8354;MFCD01463960;AKOS005073660;AC-7721;MB01859;SS-2979;A8208;AM20040753;CS-0153748;FT-0681263;EN300-39928;J-514620;Z406353700;Benzonitrile,4-bromo-2,6-dimethyl-

Chemical Property of 4-Bromo-2,6-dimethylbenzonitrile

Chemical Property:

• Vapor Pressure: 0.004mmHg at 25°C
• Melting Point: 71-72 °C
• Boiling Point: 279.783°C at 760 mmHg
• Flash Point: 123.009°C
• PSA: 23.79000
• Density: 1.446g/cm³
• LogP: 2.93758
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 208.98401
• Heavy Atom Count: 11
• Complexity: 169

Purity/Quality:

98%min ^*data from raw suppliers

4-bromo-2,6-dimethylbenzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1C#N)C)Br

Technology Process of 4-Bromo-2,6-dimethylbenzonitrile

There total 13 articles about 4-Bromo-2,6-dimethylbenzonitrile 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: 94.0%

C8H8BrN2(1+)*Cl(1-) (88679-80-5) + sodium cyanide (143-33-9,25596-52-5) → 4-bromo-2,6-dimethylbenzonitrile (5757-66-4)

Guidance literature:

With copper(I) cyanide; In water; toluene; at 0 - 47 ℃; for 3.5h;

Reference yield: 68.0%

4-bromo-2,6-dimethylphenylamine (24596-19-8) + copper(I) cyanide (544-92-3) → 4-bromo-2,6-dimethylbenzonitrile (5757-66-4)

Guidance literature:

4-bromo-2,6-dimethylphenylamine; With hydrogenchloride; sodium nitrite; In water; at 0 - 5 ℃; for 0.5h; Sonication;

copper(I) cyanide; With potassium cyanide; In water; at 70 ℃; for 0.5h;

Reference yield: 68.0%

4-bromo-2,6-dimethylphenylamine (24596-19-8) + copper(I) cyanide (544-92-3) + potassium cyanide (151-50-8) → 4-bromo-2,6-dimethylbenzonitrile (5757-66-4)

Guidance literature:

4-bromo-2,6-dimethylphenylamine; With hydrogenchloride; sodium nitrite; In water; at 0 - 5 ℃; for 0.5h; Sonication;

copper(I) cyanide; potassium cyanide; With sodium hydrogencarbonate; In water; at 70 ℃; for 0.5h;

upstream raw materials:

4-bromo-2,6-dimethylphenylamine

copper(I) cyanide

2,6-dimethylaniline

C₈H₈BrN₂⁽¹⁺⁾*Cl^(1-)

Downstream raw materials:

4-Brom-2,6-dimethylbenzoylchlorid

4-cyano-3,5-dimethylbenzoic acid

4-formyl-2,6-dimethylbenzonitrile

cyanomesitylene

Refernces

• 1、 Kumar, Rohan J.,Karlsson, Susanne,Streich, Daniel,Jensen, Alice Rolandini,Jaeger, Michael,Becker, Hans-Christian,Bergquist, Jonas,Johansson, Olof,Hammarstroem, Leif. "Vectorial electron transfer in donor-photosensitizer-acceptor triads based on novel bis-tridentate ruthenium polypyridyl complexes". experimental part. p. 2830 - 2842. Retrieved 2010/06/20.
• 2、 -. "NOVEL ANTI-INFLAMMATORY AGENTS". Page/Page column 107-110. . Retrieved 2010/11/05.