Bis(4-methylphenyl) hydrogen phosphate

Base Information

• Chemical Name: Bis(4-methylphenyl) hydrogen phosphate
• CAS No.: 843-24-3
• Molecular Formula: C14H14O4P-
• Molecular Weight: 278.244
• DSSTox Substance ID: DTXSID70233262
• Nikkaji Number: J714.165C
• Wikidata: Q83114707
• ChEMBL ID: CHEMBL1904446
• Mol file: 843-24-3.mol

Synonyms:Di-p-tolyl-phosphate;bis(4-methylphenyl) hydrogen phosphate;843-24-3;Di-p-tolyl phosphate;Phosphoric acid, bis(4-methylphenyl) ester;SMR000184486;di-p-cresylphosphoric acid;CBMicro_009208;MLS000573636;SCHEMBL157866;CHEMBL1904446;DTXSID70233262;REGID_for_CID_2829396;Phosphoric acid bis(p-tolyl) ester;SMSF0003651;STK368764;AKOS003661484;CB11970;CS-T-21239;Phosphoric acid bis(4-methylphenyl) ester;BIM-0009071.P001

Chemical Property of Bis(4-methylphenyl) hydrogen phosphate

Chemical Property:

• Vapor Pressure: 1.65E-07mmHg at 25°C
• Boiling Point: 411.5°Cat760mmHg
• Flash Point: 202.7°C
• PSA: 68.40000
• Density: g/cm³
• LogP: 4.29980
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 278.07079595
• Heavy Atom Count: 19
• Complexity: 289

Purity/Quality:

NLT 98% ^*data from raw suppliers

Di-p-tolyl-phosphate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)OP(=O)(O)OC2=CC=C(C=C2)C
• Uses: Di-p-tolyl-phosphate is a metabolite of tri-p-cresyl phosphate, a flame retardant plasticizer.

Technology Process of Bis(4-methylphenyl) hydrogen phosphate

There total 4 articles about Bis(4-methylphenyl) hydrogen phosphate 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:

dicresyl phosphorochloridate (6630-15-5) → bis-(4-methylphenyl)phosphoric acid (843-24-3)

Guidance literature:

With water;

Reference yield:

p-cresol (106-44-5) → bis-(4-methylphenyl)phosphoric acid (843-24-3)

Guidance literature:

Multi-step reaction with 2 steps

1: POCl₃

2: H₂O

With water; trichlorophosphate;

Reference yield:

tri-p-cresyl phosphate (78-32-0) → bis-(4-methylphenyl)phosphoric acid (843-24-3)

Guidance literature:

With barium dihydroxide; ethanol;

upstream raw materials:

tri-p-cresyl phosphate

dicresyl phosphorochloridate

p-cresol