6-Bromo-4-methyl-1H-benzo[d]imidazole

Base Information

• Chemical Name: 6-Bromo-4-methyl-1H-benzo[d]imidazole
• CAS No.: 255064-10-9
• Molecular Formula: C8H7BrN2
• Molecular Weight: 211.061
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID30363958
• Wikidata: Q82147716
• Mol file: 255064-10-9.mol

Synonyms:255064-10-9;6-Bromo-4-methyl-1H-benzo[d]imidazole;6-Bromo-4-methyl-1H-benzoimidazole;6-bromo-4-methyl-1H-benzimidazole;5-BROMO-7-METHYL-1H-BENZIMIDAZOLE;5-bromo-7-methyl-1H-benzo[d]imidazole;SCHEMBL154615;DTXSID30363958;MFCD06411034;AKOS015900779;AKOS022421200;DS-6330;5-bromo-7-methyl-1H-1,3-benzodiazole;AM803589;AM805950;CS-0097822;FT-0761589;EN300-131551;W10485;BRD-K20002179-001-01-0

Chemical Property of 6-Bromo-4-methyl-1H-benzo[d]imidazole

Chemical Property:

• Vapor Pressure: 7.03E-07mmHg at 25°C
• Refractive Index: 1.696
• Boiling Point: 420.1 °C at 760 mmHg
• Flash Point: 207.9 °C
• PSA: 28.68000
• Density: 1.654 g/cm³
• LogP: 2.63380
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 209.97926
• Heavy Atom Count: 11
• Complexity: 151

Purity/Quality:

97% ^*data from raw suppliers

6-Bromo-4-methyl-1H-benzo[d]imidazole 95+% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC2=C1N=CN2)Br

Technology Process of 6-Bromo-4-methyl-1H-benzo[d]imidazole

There total 3 articles about 6-Bromo-4-methyl-1H-benzo[d]imidazole 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: 97.0%

formic acid (64-18-6) + 5-bromo-3-methylbenzene-1,2-diamine (76153-06-5) → 5-bromo-7-methyl-1H-benzo[d]imidazole (255064-10-9)

Guidance literature:

for 16h; Reflux;

Reference yield: 48.0%

formic acid (64-18-6) + 5-bromo-3-methylbenzene-1,2-diamine (76153-06-5) → 6-bromo-4-methyl-1H-benzo[d]imidazole (255064-10-9)

Guidance literature:

In water; at 100 ℃; for 6h;

DOI:10.1021/jm201503u

Reference yield:

5-bromo-3-methylbenzene-1,2-diamine (76153-06-5) + trimethyl orthoformate (149-73-5) → 6-bromo-4-methyl-1H-benzo[d]imidazole (255064-10-9)

Guidance literature:

With toluene-4-sulfonic acid; at 115 ℃; for 1.5h;

upstream raw materials:

formic acid

5-bromo-3-methylbenzene-1,2-diamine

trimethyl orthoformate

Downstream raw materials:

4-methylbenzimidazole

6-bromo-1H-benzo[d]imidazole-4-carboxylic acid

4-methyl-1H-benzo[d]imidazole-6-carboxylic acid

7-methyl-1H-benzimidazole-5-carbonitrile