2-Fluoro-4-nitrobenzoic acid

Base Information

• Chemical Name: 2-Fluoro-4-nitrobenzoic acid
• CAS No.: 403-24-7
• Molecular Formula: C7H4FNO4
• Molecular Weight: 185.111
• Hs Code.: 29163990
• NSC Number: 190361
• DSSTox Substance ID: DTXSID40307207
• Nikkaji Number: J1.551.043I
• Wikidata: Q72475237
• ChEMBL ID: CHEMBL4541220
• Mol file: 403-24-7.mol

Synonyms:2-Fluoro-4-nitrobenzoic acid;403-24-7;2-fluoro-4-nitrobenzenecarboxylic acid;2-fluoro-4-nitrobenzoicacid;BENZOIC ACID, 2-FLUORO-4-NITRO-;2-fluoro-4-nitro-benzoic acid;MFCD00275565;NSC190361;2-fluoro4-nitrobenzoic acid;SCHEMBL77925;2-Fluor-4-nitro-benzoesaure;4-Nitro-2-fluorobenzoic acid;2 -fluoro-4-nitrobenzoic acid;CHEMBL4541220;SCHEMBL13981884;DTXSID40307207;BCP24608;CS-B1276;BBL101562;CL4104;STL555358;AKOS005071034;AC-3607;NSC 190361;NSC-190361;BP-12810;SY007322;A6750;AM20060215;F0797;FT-0612340;EN300-51142;7R-0042;J-509428;Z609263558

Chemical Property of 2-Fluoro-4-nitrobenzoic acid

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 1.41E-05mmHg at 25°C
• Melting Point: 170 °C
• Boiling Point: 352.5 °C at 760 mmHg
• PKA: 2.37±0.13(Predicted)
• Flash Point: 167 °C
• PSA: 83.12000
• Density: 1.568 g/cm³
• LogP: 1.95530
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 185.01243577
• Heavy Atom Count: 13
• Complexity: 227

Purity/Quality:

99% ^*data from raw suppliers

2-Fluoro-4-nitrobenzoic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi, Xn
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-37/39-36/37/39-22

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1[N+](=O)[O-])F)C(=O)O

Technology Process of 2-Fluoro-4-nitrobenzoic acid

There total 4 articles about 2-Fluoro-4-nitrobenzoic acid 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: 81.0%

2-fluoro-4-nitrotoluene (1427-07-2) → 2-fluoro-4-nitrobenzoic acid (403-24-7)

Guidance literature:

With chromium(VI) oxide; periodic acid; In acetonitrile; for 1h;

Reference yield: 69.0%

1-(2-fluoro-4-nitrophenyl)ethanone (866579-96-6) → 2-fluoro-4-nitrobenzoic acid (403-24-7)

Guidance literature:

With copper (II) nitrate tetrahydrate; oxygen; In acetonitrile; at 180 ℃; for 1.5h; under 18751.9 Torr; Green chemistry;

Reference yield: 62.0%

2-fluoro-4-nitrotoluene (1427-07-2) + acetic acid (64-19-7,77671-22-8) → 2-fluoro-4-nitrobenzoic acid (403-24-7)

Guidance literature:

With potassium dichromate; sulfuric acid; at 90 ℃; for 3h;

upstream raw materials:

2-fluoro-4-nitrotoluene

1-(2-fluoro-4-nitrophenyl)ethanone

acetic acid

Downstream raw materials:

2-fluoro-4-aminobenzoic acid

2-fluoro-4-nitrobenzoyl chloride

2-fluoro-4-nitro-benzoic acid methyl ester

2-fluoro-4,5-dinitro-benzoic acid

Refernces

• 1、 -. "Continuous synthesis method for substituted benzoic acid organic matter". Paragraph 0123-0125; 0138. . Retrieved 2019/10/01.
• 2、 Xu, Xi,Ge, Raoling,Li, Lei,Wang, Jubo,Lu, Xiaoyu,Xue, Siqi,Chen, Xijing,Li, Zhiyu,Bian, Jinlei. "Exploring the tetrahydroisoquinoline thiohydantoin scaffold blockade the androgen receptor as potent anti-prostate cancer agents". . p. 1325 - 1344. Retrieved 2017/11/13.