2-Methyl-5-nitrobenzimidazole

Base Information

• Chemical Name: 2-Methyl-5-nitrobenzimidazole
• CAS No.: 1792-40-1
• Molecular Formula: C8H7N3O2
• Molecular Weight: 177.162
• Hs Code.: 2933990090
• European Community (EC) Number: 217-259-2
• NSC Number: 38853
• UNII: VDP9EXS9EW
• DSSTox Substance ID: DTXSID60170778
• Nikkaji Number: J880J
• Wikidata: Q27291774
• ChEMBL ID: CHEMBL353026
• Mol file: 1792-40-1.mol

Synonyms:1792-40-1;2-Methyl-5-nitrobenzimidazole;2-Methyl-5-nitro-1H-benzimidazole;2-Methyl-5-nitro-1H-benzoimidazole;2-methyl-6-nitro-1H-benzimidazole;2-methyl-5-nitro-1H-benzo[d]imidazole;Benzimidazole, 2-methyl-5-nitro-;2-methyl-5-nitro-1H-1,3-benzodiazole;1H-Benzimidazole, 2-methyl-6-nitro-;1H-BENZIMIDAZOLE, 2-METHYL-5-NITRO-;2-Methyl-6-nitro-1H-benzo[d]imidazole;2-Methyl-6-nitrobenzimidazole;UNII-VDP9EXS9EW;VDP9EXS9EW;EINECS 217-259-2;NSC 38853;5-Nitro-2-methylbenzimidazole;CHEMBL353026;NSC-38853;Benzimidazole, 2-methyl-5(or 6)-nitro-;89843-46-9;NSC38853;Oprea1_267761;Oprea1_842002;MLS001018619;SCHEMBL4328210;DTXSID60170778;HMS2640A23;AMY16393;2-Methyl-6-nitro-1H-benzoimidazole;BDBM50404900;MFCD00005599;MFCD00748168;STK792962;2-Methyl-5-nitro-1H-benzimidazole #;AKOS000267994;AKOS003573668;AB00446;CS-W005802;DS-2199;METHYL-5-NITROBENZIMIDAZOLE, 2-;NCGC00246006-01;LS-33054;SMR000354804;BB 0219454;EU-0051637;FT-0683734;FT-0691785;EN300-16426;VU0103534-3;Q27291774;Z55693114;F3351-0432

Chemical Property of 2-Methyl-5-nitrobenzimidazole

Chemical Property:

• Melting Point: 223-225 °C
• Boiling Point: 446 °C at 760 mmHg
• PKA: 9.83±0.10(Predicted)
• Flash Point: 223.5 °C
• PSA: 74.50000
• Density: 1.437g/cm³
• LogP: 2.30270
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 177.053826475
• Heavy Atom Count: 13
• Complexity: 216

Purity/Quality:

97% ^*data from raw suppliers

2-Methyl-6-nitro-1H-benzimidazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-37/38-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC2=C(N1)C=C(C=C2)[N+](=O)[O-]

Technology Process of 2-Methyl-5-nitrobenzimidazole

There total 53 articles about 2-Methyl-5-nitrobenzimidazole 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: 92.0%

Triethyl orthoacetate (78-39-7) + 4-Nitrophenylene-1,2-diamine (99-56-9) → 2-methyl-5-nitrobenzimidazole (1792-40-1)

Guidance literature:

With mesoporous nanocomposite of Fe₃O₄ and -NHSO₃H functionalized silica (MCM-41); In neat (no solvent); at 90 ℃; for 0.416667h;

DOI:10.1080/00304948.2020.1870398

Reference yield: 92.0%

Trimethyl orthoacetate (1445-45-0) + 4-Nitrophenylene-1,2-diamine (99-56-9) → 2-methyl-5-nitrobenzimidazole (1792-40-1)

Guidance literature:

With silica choride; at 80 ℃; for 0.0666667h;

DOI:10.1002/cjoc.201100206

Reference yield: 90.0%

malonic acid (141-82-2) + 4-Nitrophenylene-1,2-diamine (99-56-9) → 2-methyl-5-nitrobenzimidazole (1792-40-1)

Guidance literature:

With hydrogenchloride; for 2.5h; Heating;

upstream raw materials:

2-Methyl-1H-benzimidazole

2,4-dinitroacetanilide

N,N'-diacetyl-4-nitro-1,2-phenylenediamine

acetic anhydride

Downstream raw materials:

1-Benzyl-2-methyl-5-nitro-1H-benzimidazole

3-benzyl-2-methyl-5-nitro-3H-benzimidazole

methyl 2,3-O-bis[4-(N-(2-methyl5-nitro)benzimidazolyl)butyl]-4,6-O-benzylidene-α-D-glucopyranoside

1-Benzyl-5-hydroxy-2-methyl-1H-benzimidazole