2,3,5-Trichlorobenzoic acid

Base Information

• Chemical Name: 2,3,5-Trichlorobenzoic acid
• CAS No.: 50-73-7
• Molecular Formula: C7H3Cl3O2
• Molecular Weight: 225.459
• Hs Code.: 29163990
• European Community (EC) Number: 623-514-2
• DSSTox Substance ID: DTXSID8074285
• Nikkaji Number: J55.469C
• Wikidata: Q69756362
• ChEMBL ID: CHEMBL566988
• Mol file: 50-73-7.mol

Synonyms:2,3,5-Trichlorobenzoic acid;50-73-7;Benzoic acid, 2,3,5-trichloro-;2,3,5-Trichlorobenzoicacid;BRN 2097064;AI3-33272;MFCD00060674;2,3,5(or 2,3,6)-Trichlorobenzoic acid;Benzoic acid, 2,3,5(or 2,3,6)-trichloro-;2,3,5-trichlorobenzoate;8003-94-9;2,3,5-Trichlor-benzoesaure;2,3,5-Trichloro-benzoic acid;CHEMBL566988;SCHEMBL1614866;DTXSID8074285;CHEBI:166848;AMY28605;2,3,5-Trichlorobenzoic acid, 97%;AKOS000109233;AC-19491;BS-42235;LS-38357;BB 0245941;CS-0157739;FT-0631213;D97416;EN300-110059;A828273;Z1269186387

Chemical Property of 2,3,5-Trichlorobenzoic acid

Chemical Property:

• Appearance/Colour: light beige crystalline powder
• Vapor Pressure: 7.14E-05mmHg at 25°C
• Melting Point: 166-167 °C(lit.)
• Boiling Point: 329.4 °C at 760 mmHg
• PKA: 2.09±0.25(Predicted)
• Flash Point: 153 °C
• PSA: 37.30000
• Density: 1.635 g/cm³
• LogP: 3.34500
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility.: Acetonitrile (Slightly), DMSO (Slightly)
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 223.919862
• Heavy Atom Count: 12
• Complexity: 186

Purity/Quality:

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

2,3,5-Trichlorobenzoic 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:

• Canonical SMILES: C1=C(C=C(C(=C1C(=O)O)Cl)Cl)Cl
• Uses: 2,3,5-Trichlorobenzoic Acid enhances dechlorination of congeners in Aroclor 1248.

Technology Process of 2,3,5-Trichlorobenzoic acid

There total 14 articles about 2,3,5-Trichlorobenzoic 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%

2,3,5-trichlorobenzaldehyde (56961-75-2) → 2,3,5-trichlorobenzoic acid (50-73-7)

Guidance literature:

With sodium chlorite; sodium dihydrogenphosphate; dihydrogen peroxide; In water; acetonitrile; for 4h; Glovebox; Schlenk technique; Reflux;

DOI:10.1039/c5dt00505a

Reference yield:

sulfuric acid (7664-93-9) + chloramben (133-90-4) → 2,3,5-trichlorobenzoic acid (50-73-7)

Guidance literature:

With sodium nitrate; copper(I) chloride; In concentrated hydrochloride acid; acetic acid; ethyl acetate;

Reference yield:

3,5-dichloroantranilic acid (2789-92-6) → 2,3,5-trichlorobenzoic acid (50-73-7)

Guidance literature:

With hydrogenchloride; copper (I)-salt solution; Diazotization;

DOI:10.1021/ja01225a035 DOI:10.1207/S15324796ABM2401_07

upstream raw materials:

1-(2,3,5-trichloro-phenyl)-ethanone

2,3,5-trichlorobenzaldehyde

2,3,5-trichloro-toluene

2,3,5-trichloro-benzonitrile

Downstream raw materials:

methyl 2,3,5-trichlorobenzoate

2,3,5-trichlorophenylmethanol

2,3,5-trichlorobenzamide

2,3,5-trichloro-benzoyl chloride

Refernces

• 1、 Kosaka, Wataru,Itoh, Masahisa,Miyasaka, Hitoshi. "The effect of chlorine and fluorine substitutions on tuning the ionization potential of benzoate-bridged paddlewheel diruthenium(II, II) complexes". supporting information. p. 8156 - 8168. Retrieved 2015/05/13.
• 2、 Karegoudar, Prakash,Prasad, D. Jagdeesh,Ashok, Mithun,Mahalinga, Manjathuru,Poojary, Boja,Holla, Bantwal Shivarama. "Synthesis, antimicrobial and anti-inflammatory activities of some 1,2,4-triazolo[3,4-b][1,3,4]thiadiazoles and 1,2,4-triazolo[3,4-b][1,3,4]thiadiazines bearing trichlorophenyl moiety". . p. 808 - 815. Retrieved 2008/09/21.