4-Bromobenzimidamide

Base Information

• Chemical Name: 4-Bromobenzimidamide
• CAS No.: 22265-36-7
• Molecular Formula: C7H7BrN2
• Molecular Weight: 199.05
• Hs Code.: 2925290090
• European Community (EC) Number: 826-735-4
• DSSTox Substance ID: DTXSID00944930
• Nikkaji Number: J777.050B
• Wikidata: Q72451467
• Mol file: 22265-36-7.mol

Synonyms:4-Bromobenzimidamide;22265-36-7;4-Bromo-benzamidine;4-Bromobenzamidine;4-bromobenzenecarboximidamide;4-bromobenzene-1-carboximidamide;Benzenecarboximidamide, 4-bromo-;4-bromanylbenzenecarboximidamide;F5R;SCHEMBL204318;DTXSID00944930;JODFDXUBCBQKNC-UHFFFAOYSA-N;MFCD05662836;AKOS009312070;DS-3604;SB35547;AM803538;CS-0042938;FT-0705905;EN300-196739;A910890;J-014614

Chemical Property of 4-Bromobenzimidamide

Chemical Property:

• Vapor Pressure: 0.012mmHg at 25°C
• Melting Point: 218℃
• Refractive Index: 1.63
• Boiling Point: 260.8 °C at 760 mmHg
• PKA: 11.39±0.50(Predicted)
• Flash Point: 111.5 °C
• PSA: 49.87000
• Density: 1.62 g/cm³
• LogP: 3.33520
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 197.97926
• Heavy Atom Count: 10
• Complexity: 128

Purity/Quality:

98%min ^*data from raw suppliers

4-Bromo-benzamidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=N)N)Br

Technology Process of 4-Bromobenzimidamide

There total 7 articles about 4-Bromobenzimidamide 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: 95.4%

4-bromobenzenecarbonitrile (623-00-7) → 4-bromobenzamidine (22265-36-7)

Guidance literature:

4-bromobenzenecarbonitrile; With N-acetylcystein; In ethanol; at 45 ℃; for 20h;

With ammonium carbamate; In ethanol; for 68h; Reagent/catalyst; Temperature;

Reference yield: 68.0%

p-bromobenzamidoxime (19227-14-6,69113-23-1) → 4-bromobenzamidine (22265-36-7)

Guidance literature:

With platinum on activated charcoal; ammonium formate; acetic acid; for 96h; Reflux; Inert atmosphere;

DOI:10.1016/j.bmc.2015.05.005

Reference yield:

4-bromobenzamidine hydrochloride (55368-42-8) → 4-bromobenzamidine (22265-36-7)

Guidance literature:

With sodium hydroxide; In water;

DOI:10.1016/j.bmc.2012.02.006

upstream raw materials:

4-bromobenzenecarbonitrile

ammonium thiocyanate

ammonium benzenesulfonate

4-bromobenzamidine hydrochloride

Downstream raw materials:

N-benzoyloxy-4-bromo-benzamidine

2-(4-Bromophenyl)-4-(2-methoxy-4-bromophenyl)pyrimidine

2,4-bis(4-cyanophenyl)-6-methylpyrimidine

2-{[2-(4-bromophenyl)pyrimidin-4-yl]amino}ethanol

Refernces

• 1、 -. "INHIBITORS OF HEPATITIS C VIRUS REPLICATION". Paragraph 0743-0744. . Retrieved 2019/05/15.
• 2、 -. "Preparation technique of dabigatran methanesulfonate". Paragraph 0067; 0068. . Retrieved 2016/10/10.