2-Bromo-5-fluorobenzamide

Base Information

• Chemical Name: 2-Bromo-5-fluorobenzamide
• CAS No.: 1006-34-4
• Molecular Formula: C7H5 Br F N O
• Molecular Weight: 218.025
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID20380952
• Wikidata: Q82171460
• ChEMBL ID: CHEMBL4958376
• Mol file: 1006-34-4.mol

Synonyms:2-bromo-5-fluorobenzamide;1006-34-4;Benzamide, 2-bromo-5-fluoro-;SCHEMBL2523960;CHEMBL4958376;DTXSID20380952;OCKACIBALIJPNT-UHFFFAOYSA-N;MFCD03094322;AKOS000173481;PS-7915;s10813;EN300-61280;A930033;Z101186138;2-Bromo-5-fluorobenzamide;Benzamide,2-bromo-5-fluoro-;2-Brom-5-fluor-benzamid;Benzamide,2-bromo-5-fluoro

Chemical Property of 2-Bromo-5-fluorobenzamide

Chemical Property:

• Vapor Pressure: 0.0225mmHg at 25°C
• Refractive Index: 1.581
• Boiling Point: 249.8°C at 760 mmHg
• Flash Point: 104.9°C
• PSA: 43.09000
• Density: 1.696g/cm³
• LogP: 2.38740
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 216.95385
• Heavy Atom Count: 11
• Complexity: 165

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Bromo-5-fluorobenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)C(=O)N)Br

Technology Process of 2-Bromo-5-fluorobenzamide

There total 5 articles about 2-Bromo-5-fluorobenzamide 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: 95.0%

2-Bromo-5-fluorobenzoic acid (394-28-5) → 2-bromo-5-fluorobenzamide (1006-34-4)

Guidance literature:

2-Bromo-5-fluorobenzoic acid; With thionyl chloride; at 60 ℃; for 6h;

With ammonium hydroxide; at 0 - 20 ℃;

DOI:10.1016/j.bmcl.2022.128526

Reference yield: 69.0%

5-fluoro-2-methylbenzoic acid (33184-16-6) → 2-bromo-5-fluorobenzamide (1006-34-4)

Guidance literature:

5-fluoro-2-methylbenzoic acid; With thionyl chloride; at 70 ℃; for 20h;

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

DOI:10.1021/jo302794z

Reference yield:

2-bromo-5-fluorobenzonitrile (57381-39-2) → 2-bromo-5-fluorobenzamide (1006-34-4)

Guidance literature:

With Rhodococcus rhodochrous ATCC BAA 870 cobalt nitrile hydratase; In aq. buffer; at 30 ℃; pH=7.6; Enzymatic reaction;

DOI:10.3390/molecules25010238

upstream raw materials:

2-bromo-4-fluorobenzoyl chloride

2-Bromo-5-fluorobenzoic acid

5-fluoro-2-methylbenzoic acid

2-bromo-5-fluorobenzonitrile

Downstream raw materials:

C₂₆H₂₁F₂N₃O₂

5-fluoro-2-(5-hydroxypent-1-ynyl)benzamide

5-fluoro-2-(hex-1-ynyl)benzamide

7-fluoro-3-phenylisoquinolin-1-amine