Bis(4-nitrophenyl) phosphate

Base Information

• Chemical Name: Bis(4-nitrophenyl) phosphate
• CAS No.: 645-15-8
• Deprecated CAS: 100147-02-2
• Molecular Formula: C12H9 N2 O8 P
• Molecular Weight: 340.186
• Hs Code.: 29199000
• European Community (EC) Number: 211-434-7
• NSC Number: 59824
• UNII: 1MF77LEI63
• DSSTox Substance ID: DTXSID20870742
• Nikkaji Number: J694.749B,J205.923A
• Wikidata: Q27096640
• Pharos Ligand ID: GH1NU2PP63BN
• Metabolomics Workbench ID: 67392
• ChEMBL ID: CHEMBL1231178
• Mol file: 645-15-8.mol

Synonyms:Phenol,p-nitro-, hydrogen phosphate (6CI,7CI); Phosphoric acid, bis(p-nitrophenyl)ester (8CI); BNPP; Bis(4-nitrophenyl) hydrogen phosphate; Bis(4-nitrophenyl)phosphate; Bis(4-nitrophenyl)phosphoric acid; Bis(p-nitrophenyl) hydrogenphosphate; Bis(p-nitrophenyl) phosphate; Bis-PNPP; Di-p-nitrophenyl phosphate;NSC 59824; p-Nitrophenyl monohydrogen phosphate

Chemical Property of Bis(4-nitrophenyl) phosphate

Chemical Property:

• Appearance/Colour: White-like or yellowish crystalline powder
• Vapor Pressure: 9.64E-13mmHg at 25°C
• Melting Point: 172-175 ºC
• Boiling Point: 545.7 °C at 760 mmHg
• PKA: 1.04±0.50(Predicted)
• Flash Point: 283.8 °C
• PSA: 157.21000
• Density: 1.614 g/cm³
• LogP: 4.10760
• Storage Temp.: -20°C Freezer
• Water Solubility.: almost transparency
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 340.00965225
• Heavy Atom Count: 23
• Complexity: 434

Purity/Quality:

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

Bis(4-nitrophenyl)phosphoricAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(O)OC2=CC=C(C=C2)[N+](=O)[O-]
• Uses: Bis(4-nitrophenyl) phosphate(BNPP) has been used as substrate to determine the enzyme activity of root phosphodiesterases of wetland plants. BNPP has been used to study the mechanism of cleavage of BNPP using oxamido-bridged dinuclear copper(II) complexes as catalysts. Inhibitor of enzyme. It is used for Phosphodiesterase Substrate.

Technology Process of Bis(4-nitrophenyl) phosphate

There total 7 articles about Bis(4-nitrophenyl) 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:

tris(p-nitrophenyl)phosphate (3871-20-3) → 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + Bis(p-nitrophenyl) phosphate (645-15-8)

Guidance literature:

With trans-[Mg(O₂C-2-(t-BuC₆H₄)₃CCONHC₆H₄)₂(H₂O)₄]*7(1,4-dioxane); In dichloromethane-d2; at 50 ℃; Reagent/catalyst; Sealed tube;

DOI:10.1021/ja509006x

Reference yield:

tris(p-nitrophenyl)phosphate (3871-20-3) → Bis(p-nitrophenyl) phosphate (645-15-8)

Guidance literature:

With ZnPb(L)(H₂O)2(ClO₄)2 (L = macrocyclic compartmental ligand); In dimethyl sulfoxide; Product distribution; other reag.;

DOI:10.1246/cl.1998.211

Reference yield:

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) → Bis(p-nitrophenyl) phosphate (645-15-8)

Guidance literature:

With pyridine; acetonitrile; trichlorophosphate; benzene; Behandeln einer Loesung des Reaktionsprodukts in Chloroform mit wss. Natronlauge;

upstream raw materials:

4-nitro-phenol

diphenyl hydrogen phosphate

tris(p-nitrophenyl)phosphate

diphenylphosphoroamidate

Downstream raw materials:

diphosphoric acid tetrakis-(4-nitro-phenyl ester)

phosphoric acid benzyl ester-bis-(4-nitro-phenyl ester)

2'-3'-O-isopropylideneuridine 5'-(bis(p-nitrophenyl)phosphate)

O^2',O^3'-isopropylidene-[5']guanylic acid bis-(4-nitro-phenyl ester)

Refernces

• 1、 Yamami, Masako,Furutachi, Hideki,Yokoyama, Takushi,Okawa, Hisashi. "Hydrolytic function of a hydroxo-ZnIIPbII complex toward tris-p-nitrophenyl phosphate: A functional model of heterobimetallic phosphatases". . p. 211 - 212. Retrieved 1998.
• 2、 Okamura, Taka-Aki,Furuya, Ryosuke,Onitsuka, Kiyotaka. "Synthesis and structures of soluble magnesium and zinc carboxylates containing intramolecular NH?O hydrogen bonds in nonpolar solvents". . p. 7512 - 7523. Retrieved 2015/04/27.