4-Bromobenzamidine hydrochloride

Base Information

• Chemical Name: 4-Bromobenzamidine hydrochloride
• CAS No.: 55368-42-8
• Molecular Formula: C7H7 Br N2 . Cl H
• Molecular Weight: 235.511
• Hs Code.: 2925290090
• European Community (EC) Number: 805-779-8
• DSSTox Substance ID: DTXSID50970704
• Mol file: 55368-42-8.mol

Synonyms:55368-42-8;4-Bromobenzamidine hydrochloride;4-bromobenzimidamide hydrochloride;4-Bromo-benzamidine hydrochloride;4-Bromobenzamidine HCl;4-Bromobenzenecarboximidamide hydrochloride;4-Bromobenzamidine hydrochloride hydrate;4-bromobenzenecarboximidamide;hydrochloride;MFCD00464967;4-BROMOBENZENE-1-CARBOXIMIDAMIDE HYDROCHLORIDE;Benzenecarboximidamide, 4-bromo-, monohydrochloride;SCHEMBL982825;4-bromobenzimidamidehydrochloride;DTXSID50970704;IMTHEBSPHHMJOJ-UHFFFAOYSA-N;4-bromobenzamidine hydrogen chloride;BCP26903;AKOS008122128;AB06234;CS-W002631;AC-23331;AM804038;SY014927;TS-01523;B4161;FT-0647435;EN300-82342;A15645;J-514802;Z1263602346;4-Bromobenzene-1-carboximidamide--hydrogen chloride (1/1)

Chemical Property of 4-Bromobenzamidine hydrochloride

Chemical Property:

• Vapor Pressure: 0.012mmHg at 25°C
• Melting Point: 269-272℃ ()
• Boiling Point: 260.8°C at 760 mmHg
• Flash Point: 111.5°C
• PSA: 49.87000
• LogP: 3.33520
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: soluble in Methanol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 233.95594
• Heavy Atom Count: 11
• Complexity: 128

Purity/Quality:

99% ^*data from raw suppliers

4-Bromobenzimidamidehydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=N)N)Br.Cl
• Uses: 4-Bromobenzimidamide, HCl

Technology Process of 4-Bromobenzamidine hydrochloride

There total 6 articles about 4-Bromobenzamidine hydrochloride 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: 97.0%

4-bromobenzenecarbonitrile (623-00-7) → 4-bromobenzamidine hydrochloride (55368-42-8)

Guidance literature:

4-bromobenzenecarbonitrile; With hydrogenchloride; In ethanol; chloroform; at -65 - 20 ℃;

With ammonium carbonate; In ethanol; at 20 ℃; for 20h;

DOI:10.1016/j.bmc.2012.02.006

Reference yield: 94.0%

ethanol (64-17-5) + 4-bromobenzenecarbonitrile (623-00-7) → 4-bromobenzamidine hydrochloride (55368-42-8)

Guidance literature:

With hydrogenchloride; In toluene; for 48h; Ambient temperature;

DOI:10.1080/10587259508038688

Reference yield: 80.0%

p-bromobenzamidoxime (19227-14-6,69113-23-1) → 4-bromobenzamidine hydrochloride (55368-42-8)

Guidance literature:

p-bromobenzamidoxime; With acetic anhydride; acetic acid; at 20 ℃; for 0.5h;

With triethylsilane; palladium dichloride; at 70 - 75 ℃; for 2.5h;

With hydrogenchloride; In ethanol;

DOI:10.1080/00397911.2010.488307

upstream raw materials:

4-bromobenzenecarbonitrile

ethanol

4-bromo-benzimidic acid ethyl ester hydrochloride

p-bromobenzamidoxime

Downstream raw materials:

2-(4-bromo-phenyl)-5-isopropyl-pyrimidine

3,5-bis(4-bromophenyl)-4H-1,2,4-triazole

2,4-bis(4-bromophenyl)-1,3,5-triazine

Refernces

• 1、 Baumann, Marcus,Baxendale, Ian R.. "A continuous flow synthesis and derivatization of 1,2,4-thiadiazoles". . p. 6218 - 6223. Retrieved 2017/09/30.
• 2、 -. "AROMATIC HETEROCYCLIC COMPOUND". Paragraph 0649; 0650. . Retrieved 2015/05/05.