Bis(4-chlorophenoxy)acetic acid

Base Information

• Chemical Name: Bis(4-chlorophenoxy)acetic acid
• CAS No.: 29815-94-9
• Molecular Formula: C14H10 Cl2 O4
• Molecular Weight: 313.137
• European Community (EC) Number: 249-874-7
• UNII: OF4F563P2R
• DSSTox Substance ID: DTXSID0040753
• Nikkaji Number: J54.180J
• Wikidata: Q27285623
• ChEMBL ID: CHEMBL1864088
• Mol file: 29815-94-9.mol

Synonyms:bis(4-chlorophenoxy)acetic acid;bis(p-chlorophenoxy)acetic acid;refortan

Chemical Property of Bis(4-chlorophenoxy)acetic acid

Chemical Property:

• Vapor Pressure: 2.08E-09mmHg at 25°C
• Melting Point: 138-140oC(lit.)
• Boiling Point: 464°C at 760 mmHg
• PKA: 1.58±0.10(Predicted)
• Flash Point: 234.4°C
• PSA: 55.76000
• Density: 1.441g/cm³
• LogP: 3.86190
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 311.9956142
• Heavy Atom Count: 20
• Complexity: 286

Purity/Quality:

98%Min ^*data from raw suppliers

2,2-Bis(4-chlorophenoxy)aceticacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1OC(C(=O)O)OC2=CC=C(C=C2)Cl)Cl

Technology Process of Bis(4-chlorophenoxy)acetic acid

There total 2 articles about Bis(4-chlorophenoxy)acetic 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:

dichloro-acetic acid (79-43-6) + 4-chloro-phenol (106-48-9,82344-39-6) → Bis-(p-chlorophenoxy)-essigsaeure (29815-94-9)

Guidance literature:

With sodium hydroxide;

DOI:10.1046/j.1440-1800.2002.00131.x

Reference yield:

→ Bis-(p-chlorophenoxy)-essigsaeure (29815-94-9)

Guidance literature:

Ester 1a, alkal. Verseifung;

Reference yield: 82.2%

Bis-(p-chlorophenoxy)-essigsaeure (29815-94-9) + 7-(2-hydroxyethyl)theophylline (519-37-9) → 1-(Theophyllin-7-yl)-aethyl-2--acetat (54504-73-3)

Guidance literature:

With toluene-4-sulfonic acid; In xylene; for 6h; Heating;

upstream raw materials:

dichloro-acetic acid

4-chloro-phenol

Downstream raw materials:

4-[2,2-Bis-(4-chloro-phenoxy)-acetylamino]-5-chloro-N-(2-diethylamino-ethyl)-2-methoxy-benzamide

1-(Theophyllin-7-yl)-aethyl-2--acetat

α,α-Bis-(p-chlorphenoxy)-essigsaeuremethylester

bis-(4-chloro-phenoxy)-acetic acid ethyl ester