(4-Chloro-benzyl)-phosphonic acid

Base Information

• Chemical Name: (4-Chloro-benzyl)-phosphonic acid
• CAS No.: 39225-05-3
• Molecular Formula: C₇H₈ClO₃P
• Molecular Weight: 206.565
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID40395169
• Wikidata: Q82195077
• Mol file: 39225-05-3.mol

Synonyms:39225-05-3;(4-chlorophenyl)methylphosphonic Acid;(4-Chloro-benzyl)-phosphonic acid;Phosphonic acid,[(4-chlorophenyl)methyl]- (9CI);4-chlorobenzylphosphonic acid;SCHEMBL916912;(4-Chlorobenzyl)phosphonic acid;(4-Chlorobenzyl)-phosphonic acid;DTXSID40395169;MFCD00960983;AKOS017345038;[(4-Chlorophenyl)methyl]phosphonic acid

Chemical Property of (4-Chloro-benzyl)-phosphonic acid

Chemical Property:

• PSA: 67.34000
• LogP: 2.01770
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 205.9899588
• Heavy Atom Count: 12
• Complexity: 183

Purity/Quality:

99% ^*data from raw suppliers

(4-CHLORO-BENZYL)-PHOSPHONIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CP(=O)(O)O)Cl

Technology Process of (4-Chloro-benzyl)-phosphonic acid

There total 3 articles about (4-Chloro-benzyl)-phosphonic 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:

diethyl 4-chlorobenzylphosphonate (39225-17-7) → p-Chlorbenzylphosphonsaeure (39225-05-3)

Guidance literature:

With hydrogenchloride;

Reference yield:

1-Chloro-4-(chloromethyl)benzene (104-83-6) → p-Chlorbenzylphosphonsaeure (39225-05-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 150 °C

2: aq. HCl

With hydrogenchloride;

Reference yield:

→ p-Chlorbenzylphosphonsaeure (39225-05-3)

Guidance literature:

Diethylester, HCl;

upstream raw materials:

diethyl 4-chlorobenzylphosphonate

1-Chloro-4-(chloromethyl)benzene

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