2,4-Difluorobenzoic acid

Base Information

• Chemical Name: 2,4-Difluorobenzoic acid
• CAS No.: 1583-58-0
• Molecular Formula: C7H4F2O2
• Molecular Weight: 158.104
• Hs Code.: 29163990
• European Community (EC) Number: 216-430-9
• NSC Number: 10312
• DSSTox Substance ID: DTXSID00166397
• Nikkaji Number: J206.821D
• Wikidata: Q63397983
• Mol file: 1583-58-0.mol

Synonyms:2,4-Difluorobenzoic acid;1583-58-0;Benzoic acid, 2,4-difluoro-;2,4-dfba;MFCD00011670;2,4-Difluorobenzoic-d3 Acid;EINECS 216-430-9;2,4-Difluorobenzoicacid;2,4-Difluoro-benzoic acid;NSC10312;2,4-difluorbenzoic acid;2,4-difluorobezoic acid;2,4 difluorobenzoic acid;2,4-difluoro benzoic acid;SCHEMBL366061;DTXSID00166397;2,4-Difluorobenzoic acid, 98%;NSC 10312;NSC-10312;STL169004;AKOS000119359;AB01069;AC-3099;CS-W002068;PS-8819;BP-12833;SY003827;AM20030066;D1833;FT-0610087;EN300-20294;W-107997;Q63397983;F0001-0564;Z104477622

Chemical Property of 2,4-Difluorobenzoic acid

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 0.0218mmHg at 25°C
• Melting Point: 186-190 °C
• Boiling Point: 239.5 °C at 760 mmHg
• PKA: 3.21±0.10(Predicted)
• Flash Point: 98.6 °C
• PSA: 37.30000
• Density: 1.432 g/cm³
• LogP: 1.66300
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
• Water Solubility.: SOLUBLE
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 158.01793569
• Heavy Atom Count: 11
• Complexity: 161

Purity/Quality:

99%+, ^*data from raw suppliers

2,4-Difluorobenzoic Acid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Benzoic Acid Derivatives
• Canonical SMILES: C1=CC(=C(C=C1F)F)C(=O)O
• Uses: 2,4-Difluorobenzoic Acid (cas# 1583-58-0) is a compound useful in organic synthesis.

Technology Process of 2,4-Difluorobenzoic acid

There total 30 articles about 2,4-Difluorobenzoic 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: 98.0%

N-(4-cyanophenyl)-2,4-difluorobenzamide (729559-69-7) → 2,4-difluoro-benzoic acid (1583-58-0)

Guidance literature:

With hydrogenchloride; at 80 ℃; for 18h;

Reference yield: 98.0%

2,4-difluoro-3-(triethylsilyl)benzoic acid (651027-06-4) → 2,4-difluoro-benzoic acid (1583-58-0)

Guidance literature:

With potassium hydroxide; In ethanol; water; for 2h; Heating;

DOI:10.1002/ejoc.200300354

Reference yield: 97.0%

2,4-difluoro-6-bromo-isopropylbenzene → 2,4-difluoro-benzoic acid (1583-58-0)

Guidance literature:

With 1,3-Dichloro-2-propanol; boron trifluoride diethyl etherate; water; at 50 ℃; for 1.83333h; Temperature;

upstream raw materials:

2,4-difluorotoluene

2,4-difluorobromobenzene

carbon dioxide

4-Fluorobenzoic acid

Downstream raw materials:

4-fluorosalicylic acid

2-fluoro-4-hydroxybenzoic acid

4-(2,4-difluoro-benzoylamino)-1-(3-dimethylamino-propyl)-1H-pyrrole-2-carboxylic acid ethyl ester

2,4-difluoro-5-nitro-benzoic acid

Refernces

• 1、 -. "Continuous synthesis method for substituted benzoic acid organic matter". Paragraph 0040-0060; 0138. . Retrieved 2019/10/01.
• 2、 -. "Synthetic method of medical intermediate 2, 4-difluorobenzoic acid". Paragraph 0019-0024; 0025-0030; 0031-0036; 0037-0048. . Retrieved 2018/05/16.