2,4-Difluorobenzamide

Base Information

• Chemical Name: 2,4-Difluorobenzamide
• CAS No.: 85118-02-1
• Molecular Formula: C7H5 F2 N O
• Molecular Weight: 157.12
• Hs Code.: 2924299090
• European Community (EC) Number: 285-654-7
• UNII: M4L9WR3FMB
• DSSTox Substance ID: DTXSID80234240
• Nikkaji Number: J307.995C
• Wikidata: Q72462399
• Mol file: 85118-02-1.mol

Synonyms:2,4-Difluorobenzamide;85118-02-1;Benzamide, 2,4-difluoro-;DIFLUORO BENZAMIDE;MFCD00015547;M4L9WR3FMB;EINECS 285-654-7;UNII-M4L9WR3FMB;SCHEMBL293958;2,4-Difluorobenzamide, 97%;DTXSID80234240;AMY36989;AC1494;AKOS008937705;CS-W017975;SB75734;AS-18569;BP-12708;SY023163;FT-0610083;A841219;Z33546764

Chemical Property of 2,4-Difluorobenzamide

Chemical Property:

• Appearance/Colour: WHITE TO BROWN POWDER, CRYSTALS, CRYSTALLINE POWDER AND/OR CHUNKS
• Vapor Pressure: 0.325mmHg at 25°C
• Melting Point: 161-165 °C(lit.)
• Boiling Point: 200.4 °C at 760 mmHg
• PKA: 15.19±0.50(Predicted)
• Flash Point: 75 °C
• PSA: 43.09000
• Density: 1.348 g/cm³
• LogP: 1.76400
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 157.03392011
• Heavy Atom Count: 11
• Complexity: 163

Purity/Quality:

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

2,4-Difluorobenzamide ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 2,4-Difluorobenzamide

There total 3 articles about 2,4-Difluorobenzamide 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: 95.5%

2,4-difluorobenzoyl chloride (72482-64-5) → 2,4-difluorobenzamide (85118-02-1)

Guidance literature:

With ammonium hydroxide; at -10 - 20 ℃; for 1.5h;

Reference yield:

2,4-difluorobenzaldehyde (1550-35-2) → 2,4-difluorobenzamide (85118-02-1)

Guidance literature:

With 5%-palladium/activated carbon; ammonia; hydrogen; In methanol; at 50 ℃; for 2h; under 2250.23 - 4500.45 Torr; Reagent/catalyst; Pressure; Temperature;

Reference yield:

2,4-difluoro-benzoic acid (1583-58-0) → 2,4-difluorobenzamide (85118-02-1)

Guidance literature:

With ammonium hydroxide;

DOI:10.1016/j.bmc.2006.08.034

upstream raw materials:

2,4-difluoro-benzoic acid

2,4-difluorobenzoyl chloride

2,4-difluorobenzaldehyde

Downstream raw materials:

2,4-difluorobenzonitrile

2,4-difluoro-5-nitrobenzonitrile

5-amino-2,4-difluorobenzonitrile

4,6-difluoro-isophthalonitrile

Refernces

• 1、 -. "Novel method for synthesizing dolutegravir key intermediate 2,4-difluorobenzylamine". Paragraph 0030; 0031; 0033; 0036. . Retrieved 2018/11/22.
• 2、 Sun, Chuanwen,Zhang, Xiaodong,Huang, Hai,Zhou, Pei. "Synthesis and evaluation of a new series of substituted acyl(thio)urea and thiadiazolo [2,3-a] pyrimidine derivatives as potent inhibitors of influenza virus neuraminidase". . p. 8574 - 8581. Retrieved 2008/02/07.