3-Chlorophenoxyacetyl chloride

Base Information

• Chemical Name: 3-Chlorophenoxyacetyl chloride
• CAS No.: 114476-84-5
• Molecular Formula: C8H6 Cl2 O2
• Molecular Weight: 205.04
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID10426631
• Wikidata: Q82239492
• Mol file: 114476-84-5.mol

Synonyms:114476-84-5;3-CHLOROPHENOXYACETYL CHLORIDE;2-(3-chlorophenoxy)acetyl chloride;(3-Chlorophenoxy)acetyl chloride;3-CHLOROPHENOXYACETYLCHLORIDE;Acetyl chloride, (3-chlorophenoxy)-;Acetyl chloride, 2-(3-chlorophenoxy)-;SCHEMBL1308577;DTXSID10426631;KPINZNVDHXIYAR-UHFFFAOYSA-N;NIR-667N-SUCCINIMIDYLESTER;STR07061;MFCD02094018;AKOS005207009;FT-0615508;(3-Chlorophenoxy)acetyl chloride, AldrichCPR

Chemical Property of 3-Chlorophenoxyacetyl chloride

Chemical Property:

• Vapor Pressure: 0.00964mmHg at 25°C
• Refractive Index: 1.5480
• Boiling Point: 264.6°Cat760mmHg
• Flash Point: 112.9°C
• PSA: 26.30000
• Density: 1.363g/cm³
• LogP: 2.48420
• Sensitive.: Moisture Sensitive
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 203.9744848
• Heavy Atom Count: 12
• Complexity: 161

Purity/Quality:

99% ^*data from raw suppliers

3-Chlorophenoxyacetylchloride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R34:Causes burns.
• Hazard Codes: R34:Causes burns.
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Cl)OCC(=O)Cl

Technology Process of 3-Chlorophenoxyacetyl chloride

There total 4 articles about 3-Chlorophenoxyacetyl chloride 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: 100.0%

→ 2-(3-chlorophenoxy)acetyl chloride (114476-84-5)

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane;

Reference yield:

3-chlorophenoxyacetic acid (588-32-9) → 2-(3-chlorophenoxy)acetyl chloride (114476-84-5)

Guidance literature:

With thionyl chloride; at 90 ℃; for 3h;

DOI:10.1248/cpb.36.4426

Reference yield:

3-monochlorophenol (108-43-0) → 2-(3-chlorophenoxy)acetyl chloride (114476-84-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 33percent aq. NaOH / 1 h / Heating

2: SOCl₂ / CHCl₃ / 6 h / Heating

With sodium hydroxide; thionyl chloride; In chloroform;

upstream raw materials:

3-chlorophenoxyacetic acid

3-monochlorophenol

methyl 2-(3-chlorophenoxy)acetate

Downstream raw materials:

4-(3-Chlor-phenoxyacetoxy)-cumarin

C₁₁H₁₂ClNO₃

2-(3-chlorophenoxy)acetamide

2-(3-chlorophenoxy) ethanethioamide

Refernces

• 1、 -. "BENZIMIDAZOLE DERIVATIVES AS SELECTIVE BLOCKERS OF PERSISTENT SODIUM CURRENT". Page/Page column 38. . Retrieved 2013/07/19.
• 2、 -. "SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES WITH A CHAIN EXTENSION". Page/Page column 25. . Retrieved 2008/06/13.