2-(Chloromethyl)phenol

Base Information

• Chemical Name: 2-(Chloromethyl)phenol
• CAS No.: 40053-98-3
• Molecular Formula: C7H7ClO
• Molecular Weight: 142.585
• Hs Code.: 2908199090
• UN Number: 2669
• DSSTox Substance ID: DTXSID70927533
• Nikkaji Number: J1.593.221J
• Wikidata: Q26841246
• Mol file: 40053-98-3.mol

Synonyms:2-(chloromethyl)phenol;o-Hydroxybenzylchloride;40053-98-3;1321-10-4;Phenol, 2-(chloromethyl)-;2-CHLOROMETHYLPHENOL;SCHEMBL1234540;DTXSID70927533;EINECS 215-309-8;AKOS006294222;EN300-1967059;Q26841246

Chemical Property of 2-(Chloromethyl)phenol

Chemical Property:

• Boiling Point: 240.7 °C at 760 mmHg
• PKA: 9.46±0.35(Predicted)
• Flash Point: 99.3 °C
• PSA: 20.23000
• Density: 1.233 g/cm³
• LogP: 2.13100
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 142.0185425
• Heavy Atom Count: 9
• Complexity: 85

Purity/Quality:

99% ^*data from raw suppliers

2-Hydroxy benzyl chloride 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)CCl)O

Technology Process of 2-(Chloromethyl)phenol

There total 2 articles about 2-(Chloromethyl)phenol 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: 65.0%

salicylic alcohol (90-01-7) → o-chloromethyl phenol (40053-98-3)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; at 20 ℃; for 1h;

DOI:10.3390/ijms23010231

Reference yield:

→ o-chloromethyl phenol (40053-98-3)

Guidance literature:

2-Hydroxymethylphenol, HCl;

Reference yield: 99.0%

o-chloromethyl phenol (40053-98-3) → diethyl 2-hydroxybenzylphosphonate (50375-72-9)

Guidance literature:

In 4-hydroxybenzyl chloride;

upstream raw materials:

salicylic alcohol

Downstream raw materials:

diethyl 2-hydroxybenzylphosphonate

2-hydroxybenzyl cyanide

salicylaldehyde

Refernces

• 1、 -. "Immonium salts and derivatives thereof". . . Retrieved 2008/06/13.