Chloromethylphosphonic acid

Base Information

• Chemical Name: Chloromethylphosphonic acid
• CAS No.: 2565-58-4
• Molecular Formula: CH4 Cl O3 P
• Molecular Weight: 130.468
• Hs Code.: 29319090
• European Community (EC) Number: 219-895-6
• NSC Number: 30691
• DSSTox Substance ID: DTXSID3062526
• Nikkaji Number: J135.740I
• Wikidata: Q72454654
• Mol file: 2565-58-4.mol

Synonyms:chloromethylphosphonic acid;chloromethylphosphonic acid, dipotassium salt;chloromethylphosphonic acid, disodium salt;chloromethylphosphonic acid, monopotassium salt;chloromethylphosphonic acid, monosodium salt

Chemical Property of Chloromethylphosphonic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 127-129℃
• Boiling Point: 333.8°Cat760mmHg
• PKA: pK1: 1.40;pK2: 6.30 (25°C)
• Flash Point: 155.7°C
• PSA: 67.34000
• Density: 1.726g/cm³
• LogP: 0.36040
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 129.9586587
• Heavy Atom Count: 6
• Complexity: 74.9

Purity/Quality:

99% ^*data from raw suppliers

p-(Chloromethyl)phosphonicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(P(=O)(O)O)Cl
• Uses: p-(Chloromethyl)phosphonic Acid is a useful reactant in organic synthesis.

Technology Process of Chloromethylphosphonic acid

There total 8 articles about Chloromethylphosphonic 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: 98.07%

diethyl (1-hydroxymethyl)phosphonate (3084-40-0) → chloromethylphosphonic acid (2565-58-4)

Guidance literature:

With hydrogenchloride; In water; at 100 ℃; Large scale;

Reference yield: 97.74%

diisopropyl hydroxymethylphosphonate (24630-68-0) → chloromethylphosphonic acid (2565-58-4)

Guidance literature:

With hydrogenchloride; In n-heptane; water; at 100 ℃; Large scale;

Reference yield: 96.63%

hydroxymethyl-phosphonic acid dimethyl ester (24630-67-9) → chloromethylphosphonic acid (2565-58-4)

Guidance literature:

With hydrogenchloride; In water; toluene; at 110 ℃; Large scale;

upstream raw materials:

diazomethane

diethyl ether

dichloro(chloromethyl)phosphine

chloromethylphosphonic dichloride

Downstream raw materials:

N-phenylaminomethylphosphonic acid

p-nitrophenolate

C₁₀H₁₃ClN₂O₆P^(1-)*Na⁽¹⁺⁾

N-(2-aminoethyl)aminomethanephosphonic acid

Refernces

• 1、 -. "Process method for preparing chloromethylphosphonic acid". Paragraph 0038-0044. . Retrieved 2021/06/26.
• 2、 Cameron, David G.,Hudson, Harry R.,Ojo, Isaac A. O.,Pianka, Max. "ORGANOPHOSPHORUS COMPOUNDS AS POTENTIAL FUNGICIDES. PART I. N-(ω-GUANIDINOALKYL)AMINOALKANEPHOSPHONIC ACIDS AND THEIR AMINOPHOSPHONIC PRECURSORS: PREPARATION, NMR SPECTROSCOPY, AND FAST ATOM BOMBARDMENT MASS SPECTROMETRY". . p. 183 - 198. Retrieved 2007/10/02.