o-Chlorophenyl diphenyl phosphate

Base Information

• Chemical Name: o-Chlorophenyl diphenyl phosphate
• CAS No.: 115-85-5
• Molecular Formula: C18H14 Cl O4 P
• Molecular Weight: 360.734
• Hs Code.: 2919900090
• NSC Number: 2861
• UNII: 7YH4B4LXL8
• DSSTox Substance ID: DTXSID8073891
• Nikkaji Number: J136.497I
• Wikidata: Q82002481
• Mol file: 115-85-5.mol

Synonyms:o-Chlorophenyl diphenyl phosphate;115-85-5;(2-chlorophenyl) diphenyl phosphate;2-Chlorophenyl diphenyl phosphate;Phosphoric acid, 2-chlorophenyl diphenyl ester;7YH4B4LXL8;Phosphoric acid, o-chlorophenyl diphenyl ester;NSC 2861;NSC-2861;Phosphoric acid 2-chlorophenyldiphenyl ester;Phosphen 3;UNII-7YH4B4LXL8;C18H14ClO4P;Phosphoric acid, o-chlorophenyl diphenyl ester (8CI);SCHEMBL2980601;DTXSID8073891;C18-H14-Cl-O4-P;NSC2861;(2-Chlorophenyl)diphenyl phosphate;Diphenyl-mono-(o-chlorophenyl)-phosphat

Chemical Property of o-Chlorophenyl diphenyl phosphate

Chemical Property:

• Vapor Pressure: 1.11E-06mmHg at 25°C
• Boiling Point: 413.9°Cat760mmHg
• Flash Point: 321.4°C
• PSA: 54.57000
• Density: 1.336g/cm³
• LogP: 5.98490
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 360.0318236
• Heavy Atom Count: 24
• Complexity: 397

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3Cl

Technology Process of o-Chlorophenyl diphenyl phosphate

There total 5 articles about o-Chlorophenyl diphenyl 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: 10.0%

2-chlorophenyl dichlorophosphate (15074-54-1) + phenol (108-95-2,27073-41-2) → 2-chlorophenyl diphenyl phosphate (115-85-5)

Guidance literature:

With NaH; sodium hydrogencarbonate; In tetrahydrofuran; diethyl ether; mineral oil;

Reference yield:

4-nitro-phenyl diphenyl phosphate (10359-36-1) + 2-chlorophenoxide ion (29650-97-3) → 2-chlorophenyl diphenyl phosphate (115-85-5)

Guidance literature:

With potassium hydroxide; potassium chloride; 2-amino-2-hydroxymethyl-1,3-propanediol; In methanol; water; at 25 ℃; Rate constant;

DOI:10.1021/ja00178a040

Reference yield:

2-monochlorophenol (95-57-8) + phenol (108-95-2,27073-41-2) → 2-chlorophenyl diphenyl phosphate (115-85-5)

Guidance literature:

With trichlorophosphate;

upstream raw materials:

2-monochlorophenol

phenol

4-nitro-phenyl diphenyl phosphate

2-chlorophenoxide ion

Refernces

• 1、 -. "BUTYRYLCHOLINESTERASE INHIBITORS". . . Retrieved 2010/04/23.
• 2、 Ba-Saif, Salem A.,Waring, Mark A.,Williams, Andrew. "Single transition state in the transfer of a neutral phosphoryl group between phenoxide ion nucleophiles in aqueous solution". . p. 8115 - 8120. Retrieved 2007/10/02.