3-Bromo-4-fluorobenzamide

Base Information

• Chemical Name: 3-Bromo-4-fluorobenzamide
• CAS No.: 455-85-6
• Molecular Formula: C7H5BrFNO
• Molecular Weight: 218.025
• Hs Code.: 2924299090
• European Community (EC) Number: 803-910-3
• DSSTox Substance ID: DTXSID20378379
• Wikidata: Q72455764
• Mol file: 455-85-6.mol

Synonyms:3-bromo-4-fluorobenzamide;455-85-6;SCHEMBL145505;Benzamide, 3-bromo-4-fluoro-;DTXSID20378379;OGXMZSHJMFQWHL-UHFFFAOYSA-N;3-bromo-4-fluoro-benzoic acid amide;MFCD03094431;AKOS015834295;3-Bromo-4-fluorobenzamide, AldrichCPR;AM61540;CS-W014807;PS-7913;D82503;A872361

Chemical Property of 3-Bromo-4-fluorobenzamide

Chemical Property:

• Melting Point: 133℃
• Boiling Point: 263℃
• PKA: 15.30±0.50(Predicted)
• Flash Point: 113℃
• PSA: 43.09000
• Density: 1.696
• LogP: 2.38740
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.6
• 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:

99%, ^*data from raw suppliers

3-Bromo-4-fluorobenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

Useful:

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

Technology Process of 3-Bromo-4-fluorobenzamide

There total 1 articles about 3-Bromo-4-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:

3-bromo-4-fluoro-benzoic acid fluoride (78239-65-3) → methyl 3-bromo-4-fluorobenzamide (455-85-6)

Guidance literature:

With ammonia; In water;

Reference yield:

methyl 3-bromo-4-fluorobenzamide (455-85-6) → 3-bromo-4-fluorobenzonitrile (79630-23-2)

Guidance literature:

With thionyl chloride;

Reference yield:

methyl 3-bromo-4-fluorobenzamide (455-85-6) + ferric citrate (2338-05-8) + 2-amino-benzenethiol (137-07-5) → C13H11BrN2OS*Fe(3+)*C6H5O7(3-)

Guidance literature:

In N,N-dimethyl-formamide; at 110 ℃; regioselective reaction; Green chemistry;

DOI:10.2174/1570178615666180806114523

upstream raw materials:

3-bromo-4-fluoro-benzoic acid fluoride

Downstream raw materials:

3-bromo-4-fluorobenzonitrile

Refernces