Bis(4-nitrophenyl) phosphorochloridothioate

Base Information

• Chemical Name: Bis(4-nitrophenyl) phosphorochloridothioate
• CAS No.: 52678-80-5
• Molecular Formula: C12H8ClN2O6PS
• Molecular Weight: 374.698
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID90400510
• Nikkaji Number: J1.073.168B
• Mol file: 52678-80-5.mol

Synonyms:52678-80-5;BIS(4-NITROPHENYL) PHOSPHOROCHLORIDOTHIOATE;SCHEMBL1097455;DTXSID90400510;Bis(4-nitrophenyl)phosphorochloridothioate;bis(p-nitrophenyl) thiophosphorochloridate;O,O-Bis(4-nitrophenyl) phosphorochloridothioate;Chloridothiophosphoric acid bis(4-nitrophenyl) ester

Chemical Property of Bis(4-nitrophenyl) phosphorochloridothioate

Chemical Property:

• PSA: 152.00000
• LogP: 6.12110
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 373.9529218
• Heavy Atom Count: 23
• Complexity: 443

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

BIS(4-NITROPHENYL) PHOSPHOROCHLORIDOTHIOATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1[N+](=O)[O-])OP(=S)(OC2=CC=C(C=C2)[N+](=O)[O-])Cl

Technology Process of Bis(4-nitrophenyl) phosphorochloridothioate

There total 4 articles about Bis(4-nitrophenyl) phosphorochloridothioate 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: 80.0%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) → bis(p-nitrophenyl)phosphorochloridothioate (52678-80-5)

Guidance literature:

With trichlorothiophosphine; sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; In benzene;

DOI:10.1080/104265090968064

Reference yield: 76.0%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) → bis(p-nitrophenyl)phosphorochloridothioate (52678-80-5) + 4-nitrophenyl dichlorothiophosphate (4225-51-8)

Guidance literature:

With water; potassium carbonate; trichlorophosphate; N-benzyl-N,N,N-triethylammonium chloride; In dichloromethane; at 20 - 40 ℃; for 3.75h;

Reference yield:

Thiophosphorsaeure-O,O-bis-<4-nitro-phenylester> (72448-65-8) → bis(p-nitrophenyl)phosphorochloridothioate (52678-80-5)

Guidance literature:

With trichlorophosphate; at 0 - 5 ℃; for 1h;

DOI:10.1515/hc-2014-0048

upstream raw materials:

4-nitro-phenol

Thiophosphorsaeure-O,O-bis-<4-nitro-phenylester>

Downstream raw materials:

Thiophosphoric acid O-((2R,3S,4R,5R)-3,4-dihydroxy-5-{2-[(Z)-isobutyrylimino]-6-oxo-1,2,3,6-tetrahydro-purin-9-yl}-tetrahydro-furan-2-ylmethyl) ester O',O''-bis-(4-nitro-phenyl) ester

Thiophosphoric acid O-[(2R,3S,4R,5R)-5-(4-benzoylamino-2-oxo-2H-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl] ester O',O''-bis-(4-nitro-phenyl) ester

Thiophosphoric acid O-[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl] ester O',O''-bis-(4-nitro-phenyl) ester

thiophosphoramidic acid O,O'-bis-(4-nitro-phenyl) ester

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