Bis(p-nitrophenyl) phosphate

CAS 645-15-8  ·  C12H9N2O8P  ·  MW 340.18 g/mol

Full record: Bis(p-nitrophenyl) phosphate — Safety Data Sheet →

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3D model Bis(p-nitrophenyl) phosphate, CAS 645-15-8, molecular formula C12H9N2O8P, molar mass 340.18 g/mol

Model views

  • Bis(p-nitrophenyl) phosphate (CAS 645-15-8) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • Bis(p-nitrophenyl) phosphate (CAS 645-15-8) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • Bis(p-nitrophenyl) phosphate (CAS 645-15-8) – 2D structure, MolGod Viewer
    2D structure

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About Bis(p-nitrophenyl) phosphate

Bis(p-nitrophenyl) phosphate is a chemical compound registered under number CAS 645-15-8, with the molecular formula C12H9N2O8P, and a molar mass of 340.18 g/mol.

The molecule contains 32 atoms connected by 33 chemical bonds. The full systematic IUPAC name of this compound is bis(4-nitrophenyl) hydrogen phosphate. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 1 (positive value, a lipophilic compound), polar surface area PSA = 147 Ų, 1 donors and 8 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The interactive 3D model and the viewer images are protected by copyright (© MolGod.org) — terms of use: molgod.org/copyright/.

Physicochemical properties
Molecular formulaC12H9N2O8P
Molar mass340.18 g/mol
IUPACbis(4-nitrophenyl) hydrogen phosphate
SMILESC1=CC(=CC=C1[N+](=O)[O-])OP(=O)(O)OC2=CC=C(C=C2)[N+](=O)[O-]
InChIKeyMHSVUSZEHNVFKW-UHFFFAOYSA-N
logP (XLogP3)1
PSA147 Ų
HBD / HBA1 / 8
PubChem CIDCID 255 ↗
GHS safety

Signal word: Danger

GHS06
GHS06

H300 — Fatal if swallowed

Scientific literature

Related literature

1 articles · 0 open access · Sources: PubMed, OpenAlex, Semantic Scholar

Filters:Export:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

Data from PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary generated by Semantic Scholar TLDR. Articles marked with require paid access.

Synonyms
645-15-8 · Bis(4-nitrophenyl)phosphate · bis(p-nitrophenyl)phosphate · bis(p-nitrophenyl) phosphate · di-p-nitrophenyl phosphate · p-Nitrophenyl monohydrogen phosphate · Phosphoric acid, bis(p-nitrophenyl) ester · Phenol, p-nitro-, hydrogen phosphate · 1MF77LEI63 · NSC-59824 · Bis[4-nitrophenyl]phosphate · BNPP-4 · BpNPP · RefChem:120158 · bis(para-nitrophenol)phosphate
Data sources
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
Bis(p-nitrophenyl) phosphate · 645-15-8
InChIKey
MHSVUSZEHNVFKW-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — Bis(p-nitrophenyl) phosphate (CAS 645-15-8)
License & provenance record
Bis(p-nitrophenyl) phosphate (CAS 645-15-8) →
MolGod molecule record
Bis(p-nitrophenyl) phosphate →
Source data
PubChem CID 255 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
3f5f56c1d106d959f68b7b6fac73f8c517dea7845aa1596c4b496dfbfeb510e6
MD5 (STL)
274e927251bcf075a3f6b784a1441125
MolGod Identification Number
MG_763-767-950-81
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons
not published yet
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