2-Chloro-6-methylphenoxyacetic acid

Base Information

• Chemical Name: 2-Chloro-6-methylphenoxyacetic acid
• CAS No.: 19094-75-8
• Molecular Formula: C9H9ClO3
• Molecular Weight: 200.622
• Hs Code.: 2918990090
• European Community (EC) Number: 242-814-0
• NSC Number: 190539
• DSSTox Substance ID: DTXSID1041186
• Nikkaji Number: J127.124E
• Wikidata: Q72454500
• Mol file: 19094-75-8.mol

Synonyms:19094-75-8;2-(2-chloro-6-methylphenoxy)acetic acid;2-Chloro-6-methylphenoxyacetic acid;(2-Chloro-6-methylphenoxy)acetic acid;6-Chloro-o-tolyloxyacetic acid;2-Methyl-6-chlorophenoxyacetic acid;Acetic acid, (2-chloro-6-methylphenoxy)-;EINECS 242-814-0;2-Chloro-6- Methylphenoxyacetic Acid;NSC 190539;Acetic acid, [(6-chloro-O-tolyl)oxy]-;Acetic acid, ((6-chloro-o-tolyl)oxy)-;NSC190539;SCHEMBL1887188;DTXSID1041186;6-chloro-2-methylphenoxyacetic acid;[(6-Chloro-o-tolyl)oxy]acetic acid;MFCD00270098;AKOS015842503;NSC-190539;2-(2-Chloro-6-methyl-phenoxy)acetic acid;CS-0217677;FT-0651334;EN300-81626;2,5-PYRIDINEDICARBOXYLICACIDDIETHYLESTER;A25598;F83082;Z1209414278;6-chloro-o-tolyloxyacetic acid;Acetic acid, (2-chloro-6-methylphenoxy)

Chemical Property of 2-Chloro-6-methylphenoxyacetic acid

Chemical Property:

• Vapor Pressure: 0.000102mmHg at 25°C
• Refractive Index: 1.552
• Boiling Point: 324.2 °C at 760 mmHg
• Flash Point: 149.9 °C
• PSA: 46.53000
• Density: 1.313 g/cm³
• LogP: 2.11180
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 200.0240218
• Heavy Atom Count: 13
• Complexity: 184

Purity/Quality:

99%, ^*data from raw suppliers

2-(2-Chloro-6-methylphenoxy)aceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)Cl)OCC(=O)O
• Uses: 2-(2-Chloro-6-methylphenoxy)acetic Acid could be useful as an anticonvulsant and analgesic.

Technology Process of 2-Chloro-6-methylphenoxyacetic acid

There total 5 articles about 2-Chloro-6-methylphenoxyacetic 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:

o-methylphenoxyacetic acid (1878-49-5) → MCPA (94-74-6) + 2-methyl-6-chlorophenoxyacetic acid (19094-75-8)

Guidance literature:

With tert-butylhypochlorite; dimethylaminoacetic acid; In water; at 10 - 25 ℃; for 20h; pH=8.5 - 9; Further Variations:; Catalysts; Solvents; Kinetics; Product distribution;

DOI:10.1002/(SICI)1096-9063(199912)55:12<1229::AID-PS67>3.0.CO;2-D

Reference yield:

(2-chloro-6-methyl-phenoxy)-acetic acid amide → 2-methyl-6-chlorophenoxyacetic acid (19094-75-8)

Guidance literature:

With sodium hydroxide;

Reference yield:

ethyl bromoacetate (105-36-2) → 2-methyl-6-chlorophenoxyacetic acid (19094-75-8)

Guidance literature:

With ethanol; anschliessend Erwaermen mit wss. NaOH;

upstream raw materials:

chloroacetic acid

2-chloro-6-methylphenol

o-methylphenoxyacetic acid

ethyl bromoacetate

Refernces