5-Bromosalicylamide

Base Information

• Chemical Name: 5-Bromosalicylamide
• CAS No.: 6329-74-4
• Molecular Formula: C7H6 Br N O2
• Molecular Weight: 216.034
• Hs Code.: 2924299090
• European Community (EC) Number: 228-704-5
• NSC Number: 14278
• UNII: XQU5NZU8HR
• DSSTox Substance ID: DTXSID40212685
• Nikkaji Number: J48.316H
• Wikidata: Q83087859
• Mol file: 6329-74-4.mol

Synonyms:5-bromo-2-hydroxybenzamide;5-Bromosalicylamide;6329-74-4;Bromosalicylamide;Salicylamide, bromo-;Salicylamide, 5-bromo-;Benzamide, 5-bromo-2-hydroxy-;5-bromo-2-hydroxy-benzamide;XQU5NZU8HR;EINECS 228-704-5;NSC 14278;BRN 3530373;MFCD00157694;NSC-14278;1-10-00-00048 (Beilstein Handbook Reference);5-Bromsalicylamid;NSC14278;5-bromo salicylamide;UNII-XQU5NZU8HR;WLN: ZVR BQ XE;5-Bromosalicylamide, 97%;SCHEMBL1175614;DTXSID40212685;2-HYDROXY-5-BROMOBENZAMIDE;AMY14309;AKOS015916746;CS-W022309;DS-10661;SY046600;LS-144140;FT-0636096;EN300-195371;A834317;6-methylsulfanyl-9-phenyl-purine;J-517210;Z68590257

Chemical Property of 5-Bromosalicylamide

Chemical Property:

• Vapor Pressure: 0.000219mmHg at 25°C
• Melting Point: 241-245 °C(lit.)
• Boiling Point: 316.6°C at 760 mmHg
• PKA: 7.79±0.18(Predicted)
• Flash Point: 145.3°C
• PSA: 63.32000
• Density: 1.759g/cm³
• LogP: 1.95390
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 214.95819
• Heavy Atom Count: 11
• Complexity: 163

Purity/Quality:

99%, ^*data from raw suppliers

5-Bromosalicylamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-43
• Safety Statements: 28-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 5-Bromosalicylamide

There total 14 articles about 5-Bromosalicylamide 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: 82.0%

5-bromosalicyclic acid (89-55-4) → 5-bromo-2-hydroxybenzamide (6329-74-4)

Guidance literature:

5-bromosalicyclic acid; With sulfuric acid; In butan-1-ol; for 48h; Heating / reflux;

With ammonia; In methanol; at 20 ℃; for 48h;

Reference yield: 78.0%

salicylamide (65-45-2) → 5-bromo-2-hydroxybenzamide (6329-74-4)

Guidance literature:

With bromine; acetic acid; at 20 ℃;

Reference yield: 71.0%

5-bromosalicyclaldehyde (1761-61-1) → 5-bromo-2-hydroxybenzamide (6329-74-4)

Guidance literature:

With hydroxylamine hydrochloride; caesium carbonate; In tetrahydrofuran; water; at 0 - 250 ℃; for 0.0833333h; under 150015 Torr;

DOI:10.1002/ejoc.201403280

upstream raw materials:

phenyl 5-bromo-2-hydroxybenzoate

salicylamide

2-acetoxy-5-bromo-benzoyl chloride

chloroform

Downstream raw materials:

5-bromo-2-(2-hydroxy-ethoxy)-benzoic acid amide

2-hydroxy-5-bromobenzylamine

6-bromo-2H-[1,3]benzoxazine-2,4(3H)dione

Refernces

• 1、 -. "1. 3 - Benzoxazine - 2, 4 (3 H) - dione derivatives and their synthesis and use (by machine translation)". Paragraph 0050; 0052; 0053. . Retrieved 2018/10/19.
• 2、 Keyhaniyan, Mahdi,Shiri, Ali,Eshghi, Hossein,Khojastehnezhad, Amir. "Novel design of recyclable copper(II) complex supported on magnetic nanoparticles as active catalyst for Beckmann rearrangement in poly(ethylene glycol)". . . Retrieved 2018/05/23.