2-Heptyl-2-nitrophenylmethylphosphonate structure

2-Heptyl-2-nitrophenylmethylphosphonate

1-[heptoxy(methyl)phosphoryl]oxy-2-nitrobenzene

Also Known As: ortho-Heptyl-ortho-nitrophenylmethylphosphonate|2-Heptyl-2-nitrophenylmethylphosphonate|Heptyl 2-nitrophenyl methylphosphonate|1-[heptoxy(methyl)phosphoryl]oxy-2-nitrobenzene|Phosphonic acid, methyl-, heptyl 2-nitrophenyl ester

CAS: 56402-39-2
Molecular Formula C14H22NO5P
Molecular Weight 315.12357 g/mol
LogP 4.7835
Topological Polar Surface Area 78.67 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
Rotatable Bonds 10
Exact Mass 315.12357
Monoisotopic Mass 315.12357
Heavy Atoms 21
Complexity 505.89267

Chemical Identifiers

CAS Number 56402-39-2
SMILES CCCCCCCOP(=O)(C)OC1=CC=CC=C1[N+](=O)[O-]

Product Overview

2-Heptyl-2-nitrophenylmethylphosphonate (CAS 56402-39-2), with molecular formula C14H22NO5P and molecular weight 315.12357 g/mol. IUPAC: 1-[heptoxy(methyl)phosphoryl]oxy-2-nitrobenzene.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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