3-Bromo-benzamidine

Base Information

• Chemical Name: 3-Bromo-benzamidine
• CAS No.: 26157-85-7
• Molecular Formula: C7H7 Br N2
• Molecular Weight: 199.05
• Hs Code.: 2925290090
• ChEMBL ID: CHEMBL3247191
• DSSTox Substance ID: DTXSID90404972
• Nikkaji Number: J1.374.529C
• Wikidata: Q82209338
• Mol file: 26157-85-7.mol

Synonyms:3-Bromo-benzamidine;26157-85-7;3-Bromobenzimidamide;3-bromobenzamidine;3-bromobenzenecarboximidamide;3-bromobenzene-1-carboximidamide;Benzenecarboximidamide, 3-bromo-;CHEMBL3247191;MFCD05662834;SCHEMBL423581;DTXSID90404972;BBA15785;BDBM50010255;AKOS009302769;FD10462;SB36260;AS-61010;SY285003;CS-0439137;FT-0769077;A852075

Chemical Property of 3-Bromo-benzamidine

Chemical Property:

• Vapor Pressure: 0.00555mmHg at 25°C
• Refractive Index: 1.63
• Boiling Point: 274°Cat760mmHg
• Flash Point: 119.5°C
• PSA: 49.87000
• Density: 1.62g/cm³
• LogP: 2.53320
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 197.97926
• Heavy Atom Count: 10
• Complexity: 136

Purity/Quality:

97% ^*data from raw suppliers

3-Bromo-Benzamidine 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Br)C(=N)N

Technology Process of 3-Bromo-benzamidine

There total 3 articles about 3-Bromo-benzamidine 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:

sodium thiophenolate (930-69-8) + 3-Bromo-3-(3-bromo-phenyl)-3H-diazirine → 3-cyanobromobenzene (6952-59-6) + 3-bromobenzimidamide (26157-85-7) + diphenyldisulfane (882-33-7)

Guidance literature:

In methanol; at 25 ℃; Rate constant;

DOI:10.1021/ja00070a003

Reference yield:

3-bromobenzene-1-carboximidamide hydrochloride (16796-52-4) → 3-bromobenzimidamide (26157-85-7)

Guidance literature:

With sodium hydroxide; In water; at 20 ℃; for 1h;

DOI:10.1016/j.tetlet.2017.10.032

Reference yield:

3-cyanobromobenzene (6952-59-6) → 3-bromobenzimidamide (26157-85-7)

Guidance literature:

With hydrogenchloride; ammonia;

upstream raw materials:

sodium thiophenolate

3-cyanobromobenzene

3-bromobenzene-1-carboximidamide hydrochloride

Downstream raw materials:

2-(3-bromophenyl)-4-methyl-1H-imidazole