2,4-Dichlorophenylacetic acid

Base Information

• Chemical Name: 2,4-Dichlorophenylacetic acid
• CAS No.: 19719-28-9
• Molecular Formula: C8H6Cl2O2
• Molecular Weight: 205.04
• Hs Code.: 29163990
• European Community (EC) Number: 243-248-7
• NSC Number: 54853
• UNII: 15N730ND47
• DSSTox Substance ID: DTXSID4041363
• Nikkaji Number: J43.084F
• Wikidata: Q27251731
• ChEMBL ID: CHEMBL3185822
• Mol file: 19719-28-9.mol

Synonyms:2,4-Dichlorophenylacetic acid;19719-28-9;2-(2,4-dichlorophenyl)acetic acid;Benzeneacetic acid, 2,4-dichloro-;(2,4-Dichloro-phenyl)-acetic acid;(2,4-dichlorophenyl)acetic acid;MFCD00004318;2,4-DICHLOROPHENYL ACETIC ACID;DTXSID4041363;UNII-15N730ND47;EINECS 243-248-7;NSC 54853;NSC-54853;15N730ND47;EC 243-248-7;2,4-Dichlorophenylacetic Acid (2,4-DCAA) 100 microg/mL in Acetone;2,4-dichlorphenylacetic acid;ghl.PD_Mitscher_leg0.656;SCHEMBL260512;2,4-dichloro-phenylacetic acid;CHEMBL3185822;DTXCID2021363;NSC54853;Tox21_301932;STK428922;2,4-Dichlorophenylacetic acid, 99%;2,4-DICHLOROBENZENEACETIC ACID;AKOS000119593;AC-1810;CS-W015389;PS-5497;DICHLOROPHENYLACETIC ACID, 2,4-;NCGC00255483-01;SY003610;CAS-19719-28-9;ACETIC ACID, (2,4-DICHLOROPHENYL)-;AM20060917;D1812;FT-0610068;EN300-20189;A25186;F11217;J-507184;Q27251731;Z104477206;2,4-Dichlorophenylacetic Acid 1000 microg/mL in Acetone

Chemical Property of 2,4-Dichlorophenylacetic acid

Chemical Property:

• Appearance/Colour: white to pale yellowish-beige crystalline powder
• Vapor Pressure: 9.54E-05mmHg at 25°C
• Melting Point: 129-131 °C(lit.)
• Refractive Index: 1.5490 (estimate)
• Boiling Point: 325.196 °C at 760 mmHg
• PKA: 3.92±0.10(Predicted)
• Flash Point: 150.474 °C
• PSA: 37.30000
• Density: 1.456 g/cm³
• LogP: 2.62050
• Storage Temp.: 2-8°C
• Solubility.: methanol: 0.1 g/mL, clear
• Water Solubility.: SOLUBLE IN HOT WATER
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 203.9744848
• Heavy Atom Count: 12
• Complexity: 172

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-67
• Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)Cl)CC(=O)O
• Uses: 2,4-Dichlorophenylacetic Acid is a useful research chemical. 2,4-Dichlorophenylacetic acid has been used as internal standard in:determination of phenoxyalkanoic acid herbicides in blood by GC with electron-capture detectiondetermination of 2-methyl-4-chlorophenoxyacetic acid (herbicide) in soils by GC technique

Technology Process of 2,4-Dichlorophenylacetic acid

There total 12 articles about 2,4-Dichlorophenylacetic 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: 95.0%

carbon monoxide (201230-82-2) + 2,4-Dichlorobenzyl chloride (94-99-5) → 2,4-dichlorophenylacetic acid (19719-28-9)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; tetraethylammonium chloride; sodium hydroxide; In 5,5-dimethyl-1,3-cyclohexadiene; at 80 ℃; for 20h; under 11251.1 Torr; Solvent; Temperature; Reagent/catalyst; regioselective reaction; Catalytic behavior; Autoclave;

DOI:10.1177/1747519819876202

Reference yield: 92.3%

2,4-Dichlorophenylacetonitrile (6306-60-1) → 2,4-dichlorophenylacetic acid (19719-28-9)

Guidance literature:

With sulfuric acid; acetic acid; at 100 - 130 ℃; Concentration;

Reference yield:

1-(2,2,2-trichloroethyl)-2,4-dichlorobenzene (30267-70-0) → 2,4-dichlorophenylacetic acid (19719-28-9)

Guidance literature:

With sulfuric acid; In toluene; at 80 - 90 ℃; for 8h; Inert atmosphere;

upstream raw materials:

2,4-Dichlorophenylacetonitrile

2,4-Dichlorobenzyl chloride

(2,4-dichlorophenyl)methanol

2,4-dichlorobenzyl bromide

Downstream raw materials:

chloro-(2,4-dichloro-phenyl)-acetyl chloride

ethyl 2-(2, 4-dichlorophenyl)acetate

2-(2,4-Dichloro-phenyl)-N-methyl-N-((1R,2S)-2-pyrrolidin-1-yl-cyclohexyl)-acetamide

2,4-dichlorophenylethyl alcohol

Refernces

• 1、 -. "A phenylacetic acid compound preparation method (by machine translation)". . . Retrieved 2018/03/01.
• 2、 She, Meng-Yao,Xiao, Da-Wei,Yin, Bing,Yang, Zheng,Liu, Ping,Li, Jian-Li,Shi, Zhen. "An efficiently cobalt-catalyzed carbonylative approach to phenylacetic acid derivatives". . p. 7264 - 7268. Retrieved 2013/08/23.