2,5-Dichlorobenzimidazole

Base Information

• Chemical Name: 2,5-Dichlorobenzimidazole
• CAS No.: 4887-95-0
• Molecular Formula: C7H4Cl2N2
• Molecular Weight: 187.028
• Hs Code.: 2933990090
• European Community (EC) Number: 839-594-9
• NSC Number: 345196
• DSSTox Substance ID: DTXSID90319416
• Wikidata: Q82075879
• Mol file: 4887-95-0.mol

Synonyms:4887-95-0;2,5-Dichlorobenzimidazole;2,6-Dichloro-1H-benzo[d]imidazole;2,5-Dichloro-1H-benzimidazole;2,6-dichloro-1H-benzimidazole;2,5-dichloro-1H-benzo[d]imidazole;MFCD00091850;1H-benzimidazole, 2,5-dichloro-;2,5-Dichlorobenzoimidazole;2,5-Dichloro-1H-benzoimidazole;1H-Benzimidazole,2,6-dichloro-;NSC345196;2,6-dichlorobenzimidazole;SCHEMBL1192946;DTXSID90319416;AKOS004911094;NSC 345196;NSC-345196;AM100872;AS-44518;SY083356;2,5-DICHLORO-1H-1,3-BENZODIAZOLE;CS-0374502;FT-0646257;A18810;EN300-697682;WBD

Chemical Property of 2,5-Dichlorobenzimidazole

Chemical Property:

• Vapor Pressure: 1.68E-05mmHg at 25°C
• Melting Point: 207-208 °C (decomp)
• Refractive Index: 1.708
• Boiling Point: 364.5 °C at 760 mmHg
• PKA: 8.11±0.10(Predicted)
• Flash Point: 205.7 °C
• PSA: 28.68000
• Density: 1.571 g/cm³
• LogP: 2.86970
• Storage Temp.: 2-8°C
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 185.9751535
• Heavy Atom Count: 11
• Complexity: 153

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,5-Dichloro-1H-benzimidazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1Cl)NC(=N2)Cl

Technology Process of 2,5-Dichlorobenzimidazole

There total 9 articles about 2,5-Dichlorobenzimidazole 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: 90.0%

5-chloro-1,3-dihydrobenzoimidazol-2-one (2034-23-3) → 2,5-dichloro-1H-benzimidazole (4887-95-0)

Guidance literature:

With trichlorophosphate; at 80 ℃; for 3h;

Reference yield: 83.0%

5(6)-Chlorobenzimidazole-2-sulfonic acid (40828-56-6) → 2,5-dichloro-1H-benzimidazole (4887-95-0)

Guidance literature:

With phosphorus pentachloride; In trichlorophosphate; for 6h; Heating;

DOI:10.1080/00397919808006874

Reference yield: 69.0%

5-chloro-1,3-dihydrobenzoimidazol-2-one (2034-23-3) → 2,6-dichloro-1H-1,3-benzimidazole (4887-95-0)

Guidance literature:

With trichlorophosphate; at 95 ℃; for 16h;

DOI:10.1021/jm060065y

upstream raw materials:

5-chloro-1,3-dihydrobenzoimidazol-2-one

4-Chloro-1,2-phenylenediamine

5(6)-Chlorobenzimidazole-2-sulfonic acid

5-chloro-1,3-dihydro-2H-benzo[d]imidazole-2-thione

Downstream raw materials:

(5-chloro-1⁽³⁾H-benzoimidazol-2-yl)-(4-chloro-phenyl)-amine

5⁽⁶⁾-chloro-2-(3-chloro-4-fluoroanilino)-1H-benzimidazole hydrochloride

5⁽⁶⁾-chloro-2-(4-trifluoromethylanilino)-1H-benzimidazole hydrochloride

3-{(2S,4S)-1-benzyloxycarbonyl-4-[4-(5-chlorobenzimidazol-2-yl)piperazin-1-yl]pyrrolidin-2-ylcarbonyl}thiazolidine

Refernces

• 1、 -. "NOVEL BENZIMIDAZOLE DERIVATIVE AND USE THEREOF". Paragraph 0135-0137. . Retrieved 2015/02/18.
• 2、 -. "SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY". Page/Page column 168. . Retrieved 2008/12/06.