3,5-Dibromo-4-hydroxy-benzamidine

Base Information

• Chemical Name: 3,5-Dibromo-4-hydroxy-benzamidine
• CAS No.: 84435-79-0
• Molecular Formula: C7H6 Br2 N2 O
• Molecular Weight: 293.94
• Hs Code.: 2925290090
• DSSTox Substance ID: DTXSID20421778
• Wikidata: Q82233430
• Mol file: 84435-79-0.mol

Synonyms:3,5-Dibromo-4-hydroxy-benzamidine;84435-79-0;3,5-DIBROMO-4-HYDROXYBENZENECARBOXIMIDAMIDE;3,5-Dibromo-4-hydroxybenzimidamide;4-Amidino-2,6-dibromophenol;SCHEMBL7326316;DTXSID20421778;YBEICZXHUUCERA-UHFFFAOYSA-N;4-(PIPERAZINE-1-CARBONYL)-BENZOICACID

Chemical Property of 3,5-Dibromo-4-hydroxy-benzamidine

Chemical Property:

• Vapor Pressure: 0.000192mmHg at 25°C
• Refractive Index: 1.713
• Boiling Point: 318.6°C at 760 mmHg
• Flash Point: 146.5°C
• PSA: 70.10000
• Density: 2.21g/cm³
• LogP: 3.00130
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 293.88264
• Heavy Atom Count: 12
• Complexity: 176

Purity/Quality:

98%Min ^*data from raw suppliers

3,5-Dibromo-4-Hydroxy-Benzamidine 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1Br)O)Br)C(=N)N

Technology Process of 3,5-Dibromo-4-hydroxy-benzamidine

There total 3 articles about 3,5-Dibromo-4-hydroxy-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: 56.0%

p-hydroxybenzamidine (15535-98-5) → 4-amidino-2,6-dibromophenol (84435-79-0)

Guidance literature:

With bromine; In water; for 1h; Ambient temperature;

DOI:10.1248/cpb.32.4466

Reference yield:

4-cyanophenol (767-00-0) → 4-amidino-2,6-dibromophenol (84435-79-0)

Guidance literature:

Multi-step reaction with 3 steps

1: HCl / Ambient temperature

2: NH₃ / methanol / Ambient temperature

3: 56 percent / Br₂ / H₂O / 1 h / Ambient temperature

With hydrogenchloride; ammonia; bromine; In methanol; water;

DOI:10.1248/cpb.32.4466

Reference yield:

4-hydroxybenzimidic acid methyl ester hydrochloride (57943-60-9) → 4-amidino-2,6-dibromophenol (84435-79-0)

Guidance literature:

Multi-step reaction with 2 steps

1: NH₃ / methanol / Ambient temperature

2: 56 percent / Br₂ / H₂O / 1 h / Ambient temperature

With ammonia; bromine; In methanol; water;

DOI:10.1248/cpb.32.4466

upstream raw materials:

p-hydroxybenzamidine

4-cyanophenol

4-hydroxybenzimidic acid methyl ester hydrochloride

Downstream raw materials:

Benzoic acid 2,6-dibromo-4-carbamimidoyl-phenyl ester