Acetic acid, (2-chloro-5-methylphenoxy)-

Base Information

• Chemical Name: Acetic acid, (2-chloro-5-methylphenoxy)-
• CAS No.: 1556-00-9
• Molecular Formula: C₉H₉ClO₃
• Molecular Weight: 200.622
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID90935236
• Wikidata: Q82911262
• Mol file: 1556-00-9.mol

Synonyms:Acetic acid, (2-chloro-5-methylphenoxy)-;2-(2-chloro-5-methylphenoxy)acetate;DTXSID90935236;(2-Chloro-5-methylphenoxy)acetate

Chemical Property of Acetic acid, (2-chloro-5-methylphenoxy)-

Chemical Property:

• Vapor Pressure: 5.11E-05mmHg at 25°C
• Melting Point: 148-149 °C
• Boiling Point: 334.3°Cat760mmHg
• PKA: 3.08±0.10(Predicted)
• Flash Point: 156°C
• PSA: 46.53000
• Density: g/cm³
• LogP: 2.11180
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 199.0161968
• Heavy Atom Count: 13
• Complexity: 178

Purity/Quality:

98%min ^*data from raw suppliers

(2-Chloro-5-methylphenoxy)aceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)Cl)OCC(=O)[O-]
• Uses: (2-Chloro-5-methylphenoxy)acetic Acid is a reagent used in the synthesis of novel phenoxyacetoxy-thienyl-methylphosphinates which exhibit herbicidal and fungicidal activity.

Technology Process of Acetic acid, (2-chloro-5-methylphenoxy)-

There total 5 articles about Acetic acid, (2-chloro-5-methylphenoxy)- 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-chloro-5-methylphenol (615-74-7) → 2-(2-chloro-5-methylphenoxy)acetic acid (1556-00-9)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / dimethyl sulfoxide

2: sodium hydroxide

With potassium carbonate; sodium hydroxide; In dimethyl sulfoxide;

DOI:10.1002/jhet.1944

Reference yield:

C11H13ClO3 (588679-09-8) → 2-(2-chloro-5-methylphenoxy)acetic acid (1556-00-9)

Guidance literature:

alkaline hydrolysis;

DOI:10.1080/10426500701792974

Reference yield:

2-chloro-5-methylphenol (615-74-7) + chloroacetic acid (79-11-8) → 2-(2-chloro-5-methylphenoxy)acetic acid (1556-00-9)

Guidance literature:

With sodium hydroxide;

upstream raw materials:

2-chloro-5-methylphenol

chloroacetic acid

ethyl bromoacetate

C₁₁H₁₃ClO₃

Downstream raw materials:

C₁₇H₁₉ClNO₅P

O,O-dimethyl α-(5-methyl-2-chlorophenoxyacetoxy)-3-nitrobenzylphosphonate

(2-chloro-5-methyl-phenoxy)-acetic acid hydrazide

2-(2-chloro-5-methyl-phenoxy)-ethanol