4-Amino-2,3,5,6-tetrafluorobenzamide

Base Information

• Chemical Name: 4-Amino-2,3,5,6-tetrafluorobenzamide
• CAS No.: 1548-74-9
• Molecular Formula: C7H4F4N2O
• Molecular Weight: 208.115
• Hs Code.: 29242990
• European Community (EC) Number: 216-285-1
• NSC Number: 97005
• UNII: BWS378BPL2
• DSSTox Substance ID: DTXSID20165721
• Nikkaji Number: J206.773K
• Wikidata: Q83034954
• Mol file: 1548-74-9.mol

Synonyms:4-Amino-2,3,5,6-tetrafluorobenzamide;1548-74-9;4-Aminotetrafluorobenzamide;BWS378BPL2;EINECS 216-285-1;MFCD00008000;NSC-97005;Benzamide, 4-amino-2,3,5,6-tetrafluoro-;NSC97005;UNII-BWS378BPL2;TimTec1_004208;NCIOpen2_006197;SCHEMBL3145740;DTXSID20165721;HMS1545P06;C7-H4-F4-N2-O;NSC 97005;AKOS007930791;4-Amino-2,3,5,6-tetrafluorobenzamid;SB78220;2,3,5,6-Tetrafluoro-4-aminobenzamide;AS-62707;A0949;CS-0313281;FT-0617444;J-009155

Chemical Property of 4-Amino-2,3,5,6-tetrafluorobenzamide

Chemical Property:

• Appearance/Colour: beige crystalline powder
• Vapor Pressure: 4.23mmHg at 25°C
• Melting Point: 185-186 °C
• Refractive Index: 1.531
• Boiling Point: 148.4 °C at 760 mmHg
• PKA: 14.27±0.50(Predicted)
• Flash Point: 43.5 °C
• PSA: 69.11000
• Density: 1.635 g/cm³
• LogP: 2.20560
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 208.02597540
• Heavy Atom Count: 14
• Complexity: 224

Purity/Quality:

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

4-Amino-2,3,5,6-tetrafluorobenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1(=C(C(=C(C(=C1F)F)N)F)F)C(=O)N
• Uses: 4-Amino-2,3,5,6-tetrafluorobenzamide is a useful intermediate in the synthesis of aromatic polyfluoronitroso compounds.

Technology Process of 4-Amino-2,3,5,6-tetrafluorobenzamide

There total 3 articles about 4-Amino-2,3,5,6-tetrafluorobenzamide 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: 79.0%

4-amino-2,3,5,6-tetrafluorobenzonitrile (17823-38-0) → 4-amino-2,3,5,6-tetrafluorobenzamide (1548-74-9)

Guidance literature:

With RuCl2(η6-C6Me6)(1-benzyl-3,5-diaza-1-azonia-7-phosphaadamantane chloride); water; at 100 ℃; for 3h; chemoselective reaction; Inert atmosphere; Neutral aq. solution;

DOI:10.1002/chem.200800847

Reference yield:

2,3,4,5,6-pentafluorobenzamide (652-31-3) → 4-amino-2,3,5,6-tetrafluorobenzamide (1548-74-9)

Guidance literature:

With ammonia; In methanol;

DOI:10.1021/jo01341a042

Reference yield:

→ 4-amino-2,3,5,6-tetrafluorobenzamide (1548-74-9)

Guidance literature:

Pentafluorbenzamid, NaNH2, fl. NH3;

upstream raw materials:

2,3,4,5,6-pentafluorobenzamide

4-amino-2,3,5,6-tetrafluorobenzonitrile

Downstream raw materials:

4-amino-2,3,5,6-tetrafluorobenzoic acid

4-nitrotetrafluorobenzamide

2,3,5,6-tetrafluoro-4-nitroso-benzoic acid

2,3,5,6-tetrafluoro-4-(2-oxa-3-aza-bicyclo[2.2.2]oct-5-en-3-yl)-benzoic acid

Refernces