Phosphorochloridic acid, bis[4-(1,1-dimethylethyl)phenyl] ester

Base Information

• Chemical Name: Phosphorochloridic acid, bis[4-(1,1-dimethylethyl)phenyl] ester
• CAS No.: 38135-31-8
• Molecular Formula: C20H26 Cl O3 P
• Molecular Weight: 380.851
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID5068071
• Nikkaji Number: J422.382I
• Wikidata: Q81994775
• Mol file: 38135-31-8.mol

Synonyms:38135-31-8;Phosphorochloridic acid, bis[4-(1,1-dimethylethyl)phenyl] ester;Di-4-tert-butylphenyl phosphorochloridate;1-tert-butyl-4-[(4-tert-butylphenoxy)-chlorophosphoryl]oxybenzene;Bis(tert-butylphenyl) chlorophosphate;Chloridophosphoric acid bis[4-(1,1-dimethylethyl)phenyl] ester;Phosphorochloridic acid, bis(4-(1,1-dimethylethyl)phenyl) ester;C20H26ClO3P;72138-84-2;DTXSID5068071;SCHEMBL11790553;C20-H26-Cl-O3-P;AKOS030255144

Chemical Property of Phosphorochloridic acid, bis[4-(1,1-dimethylethyl)phenyl] ester

Chemical Property:

• Vapor Pressure: 7.5E-08mmHg at 25°C
• Boiling Point: 449.6°C at 760 mmHg
• Flash Point: 367.6°C
• PSA: 45.34000
• Density: 1.139g/cm³
• LogP: 7.08630
• XLogP3: 7.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 380.1308094
• Heavy Atom Count: 25
• Complexity: 424

Purity/Quality:

99% ^*data from raw suppliers

Di-p-tert-ButylphenylPhosphorochloridate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)OP(=O)(OC2=CC=C(C=C2)C(C)(C)C)Cl
• Uses: Di-p-tert-Butylphenyl phosphorochloridate is an intermediate in the synthesis of Phenyl Di-p-tert-butylphenyl Phosphate which is a compound with potential application to fire retardants, plasticizers and oils, due to its chemical composition.

Technology Process of Phosphorochloridic acid, bis[4-(1,1-dimethylethyl)phenyl] ester

There total 2 articles about Phosphorochloridic acid, bis[4-(1,1-dimethylethyl)phenyl] ester 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:

para-tert-butylphenol (98-54-4) → chlorophosphoric acid bis-(4-tert-butyl-phenyl ester) (38135-31-8)

Guidance literature:

With pyridine; trichlorophosphate; In benzene; for 5h; Reflux;

DOI:10.1016/j.apcata.2014.04.007

Reference yield:

para-tert-butylphenol (98-54-4) → 4-tert-Butylphenoxy dichlorophosphate (18351-36-5) + chlorophosphoric acid bis-(4-tert-butyl-phenyl ester) (38135-31-8)

Guidance literature:

With magnesium chloride; trichlorophosphate; at 75 - 120 ℃;

Reference yield: 85.0%

chlorophosphoric acid bis-(4-tert-butyl-phenyl ester) (38135-31-8) → bis(4-(tert-butyl)phenyl) phosphorazidate

Guidance literature:

With sodium azide; In acetonitrile; at 0 - 25 ℃; for 12h; Inert atmosphere;

DOI:10.1002/asia.202000154

upstream raw materials:

para-tert-butylphenol

Downstream raw materials:

bis(4-tert-butylphenyl)phosphoric acid

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