Methyl (2,4,5-trichlorophenoxy)acetate

Base Information

• Chemical Name: Methyl (2,4,5-trichlorophenoxy)acetate
• CAS No.: 1928-37-6
• Molecular Formula: C9H7 Cl3 O3
• Molecular Weight: 269.512
• Hs Code.: 2918990090
• European Community (EC) Number: 217-669-1
• NSC Number: 190451
• UNII: 131049BJ6I
• DSSTox Substance ID: DTXSID80172875
• Nikkaji Number: J7.819K
• Wikidata: Q27251455
• ChEMBL ID: CHEMBL1398384
• Mol file: 1928-37-6.mol

Synonyms:1928-37-6;2,4,5-T Methyl ester;Methyl (2,4,5-trichlorophenoxy)acetate;methyl 2-(2,4,5-trichlorophenoxy)acetate;2,4,5-T-methyl;2,4,5-T-methyl [ISO];2,4,5-Trichlorophenoxyacetic acid methyl ester;2,4,5-T-METHYL ESTER;Acetic acid, (2,4,5-trichlorophenoxy)-, methyl ester;2,4,5-trichlorophenoxyacetic acid, methyl ester;UNII-131049BJ6I;EINECS 217-669-1;Methyl 2,4,5-trichlorophenoxyacetate;131049BJ6I;NSC 190451;NSC-190451;Acetic acid, 2-(2,4,5-trichlorophenoxy)-, methyl ester;2,5-T Methyl ester;Spectrum_001865;SpecPlus_000476;2,4,5-T methyl;Spectrum2_001850;Spectrum3_000838;Spectrum4_000678;Spectrum5_001990;BSPBio_002395;KBioGR_001115;KBioSS_002382;SPECTRUM330046;DivK1c_006572;SPBio_001640;CHEMBL1398384;KBio1_001516;KBio2_002378;KBio2_004946;KBio2_007514;KBio3_001895;DTXSID80172875;2,4,5-T, METHYL ESTER;CCG-39388;NSC190451;Methyl (2,5-trichlorophenoxy)acetate;AKOS008336757;methyl 2,4,5-trichlorophenoxyethanoate;NCGC00095768-01;NCGC00095768-02;2,5-Trichlorophenoxyacetic acid methyl ester;Acetic acid,4,5-trichlorophenoxy)-, methyl ester;J-012478;2-(2,4,5-Trichlorophenoxy)acetic acid, Methyl ester;Q27251455;(2,4,5-TRICHLOROPHENOXY)ACETIC ACID METHYLESTER;2,4,5-T methyl ester, PESTANAL(R), analytical standard;2,4,5-T Methyl Ester ((2,4,5-Trichlorophenoxy)acetic Acid Methyl Ester)

Chemical Property of Methyl (2,4,5-trichlorophenoxy)acetate

Chemical Property:

• Vapor Pressure: 0.000177mmHg at 25°C
• Melting Point: 90.08°C
• Boiling Point: 329.5°Cat760mmHg
• Flash Point: 136.6°C
• PSA: 35.53000
• Density: 1.45g/cm³
• LogP: 3.19860
• Storage Temp.: 2-8°C
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 267.946077
• Heavy Atom Count: 15
• Complexity: 225

Purity/Quality:

98%min ^*data from raw suppliers

2,4,5-T methyl ester ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xn,N
• Hazard Codes: F,Xn,N
• Statements: 11-38-48/20-51/53-62-65-67-50/53-36/37/38-22-36
• Safety Statements: 36/37-61-62-60-24-16

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC(=O)COC1=CC(=C(C=C1Cl)Cl)Cl
• Uses: 2,4,5-T Methyl Ester is used in pesticide compositions and processes related to their preparation and use, analysis of herbicides by gas-liquid chromatography, phenoxy ester identification and analysis

Technology Process of Methyl (2,4,5-trichlorophenoxy)acetate

There total 4 articles about Methyl (2,4,5-trichlorophenoxy)acetate 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:

2,4,5-Trichlorophenoxyacetic acid (93-76-5) + methyl iodide (74-88-4) → methyl 2,4,5-trichlorophenoxyacetate (1928-37-6)

Guidance literature:

With AG-MP₁ anion exchange resin; In carbon dioxide; at 80 ℃; for 0.333333h; under 150012 Torr; Product distribution;

DOI:10.1021/ac00101a023

Reference yield:

2,4,5-trichlorophenol (95-95-4) → methyl 2,4,5-trichlorophenoxyacetate (1928-37-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 74 percent / NaOH / H₂O / 1.) 95 deg C, 45 min, 2.) 2.5 h.

2: K₂CO₃ / acetone; H₂O / 8 h / Heating

With sodium hydroxide; potassium carbonate; In water; acetone;

DOI:10.1135/cccc19831089

Reference yield:

2,4,5-Trichlorophenoxyacetic acid (93-76-5) + dimethyl sulfate (77-78-1) → methyl 2,4,5-trichlorophenoxyacetate (1928-37-6)

Guidance literature:

With potassium carbonate; In water; acetone; for 8h; Yield given; Heating;

DOI:10.1135/cccc19831089

upstream raw materials:

2,4,5-Trichlorophenoxyacetic acid

dimethyl sulfate

methyl iodide

2,4,5-trichlorophenol

Downstream raw materials:

N-(2-diethylaminoethyl)-2,4,5-trichlorophenoxyacetamide hydrochloride

C₁₅H₁₁BrCl₃N₃O₂S

C₁₆H₁₄Cl₃N₃O₂S

Thiocyanato-(2,4,5-trichloro-phenoxy)-acetic acid methyl ester

Refernces

• 1、 Valenta,Nemec,Protiva. "Basic amides of 2,4,5 trichlorophenoxyacetic, 2,4,6 trimethylphenoxyacetic and 4 bromo 3,5 dimethylphenoxyacetic acid and some related compounds; synthesis and pharmacological screening". . p. 1089 - 1096. Retrieved 2007/10/02.