4,5-Dibromo-1H-imidazole

Base Information

• Chemical Name: 4,5-Dibromo-1H-imidazole
• CAS No.: 2302-30-9
• Molecular Formula: C3H2 Br2 N2
• Molecular Weight: 225.87
• Hs Code.: 2933290090
• European Community (EC) Number: 667-710-6
• DSSTox Substance ID: DTXSID10177575
• Nikkaji Number: J542.933A
• Wikidata: Q72464452
• Mol file: 2302-30-9.mol

Synonyms:4,5-Dibromo-1H-imidazole;2302-30-9;4,5-Dibromoimidazole;1H-Imidazole, 4,5-dibromo-;C3H2Br2N2;BRN 0108688;5-23-04-00464 (Beilstein Handbook Reference);dibromoimidazole;Imidazole, 4,5-dibromo-;4,5-Dibromo-1H-imidazol;1H-Imidazole,4,5-dibromo;SCHEMBL392946;4,5-Dibromo-1H-imidazole #;DTXSID10177575;AMY25242;MFCD00091826;AKOS015835016;AKOS025394553;AB03286;AC-5934;Imidazole, 4,5-dibromo- (7CI,8CI);AS-58849;LS-78349;CS-0060722;FT-0646045;METHYL5-AMINOPYRIMIDINE-2-CARBOXYLATE;EN300-198593;W18398;A816494;J-014942;F9995-2587

Chemical Property of 4,5-Dibromo-1H-imidazole

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Melting Point: 214-216°C
• Boiling Point: 388.6°Cat760mmHg
• PKA: 8.99±0.10(Predicted)
• Flash Point: 188.8°C
• PSA: 28.68000
• Density: 2.419
• LogP: 1.93470
• Storage Temp.: Keep Cold
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 225.85642
• Heavy Atom Count: 7
• Complexity: 68

Purity/Quality:

97% ^*data from raw suppliers

4,5-Dibromo-1H-imidazole ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NC(=C(N1)Br)Br

Technology Process of 4,5-Dibromo-1H-imidazole

There total 5 articles about 4,5-Dibromo-1H-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: 41.0%

1H-imidazole (288-32-4) → 4,5-dibromo-1H-imidazole (2302-30-9) + 2,4,5-tribromo-1H-imidazole (2034-22-2) + 4-bromo-1 H-imidazole (2302-25-2)

Guidance literature:

With N-Bromosuccinimide; In N,N-dimethyl-formamide; at 20 ℃; for 48h; Yields of byproduct given;

Reference yield: 27.0%

1H-imidazole (288-32-4) → 4,5-dibromo-1H-imidazole (2302-30-9) + 4-bromo-1 H-imidazole (2302-25-2)

Guidance literature:

With potassium (aquo)(2?chlorobenzoato)oxodiperoxo–tungstate(VI) dihydrate; potassium bromide; In water; acetonitrile; at 20 ℃;

DOI:10.1007/s00706-019-02435-1

Reference yield:

2,4,5-tribromo-1H-imidazole (2034-22-2) + water (7732-18-5) → 1H-imidazole (288-32-4) + 4,5-dibromo-1H-imidazole (2302-30-9) + 4-bromo-1 H-imidazole (2302-25-2)

Guidance literature:

upstream raw materials:

1H-imidazole

chloroform

bromine

2,4,5-tribromo-1H-imidazole

Downstream raw materials:

4,5-dibromo-1-methyl-1H-imidazole

4-bromo-1 H-imidazole

4-bromoimidazol-5-yldiphenylmethanol

5-bromoimidazol-4-yldiphenylmethanol