2,4,7-Trinitrofluorenone

Compound Structure:

Synonyms:

2,4,7-TRINITRO-9H-FLUOREN-9-ONE;129-79-3;2,4,7-Trinitrofluoren-9-one;2,4,7-Trinitrofluorenone;9H-Fluoren-9-one, 2,4,7-trinitro-;2,4,7-Trinitro-9-fluorenone;Fluoren-9-one, 2,4,7-trinitro-

Compound ID:

NMPC-170

PubChem ID:

8521

Molecular Formula:

C13H5N3O7

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=C2C(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChIKey:

VHQGURIJMFPBKS-UHFFFAOYSA-N

About the compound:

GHS Hazard Statements

• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	315.19 g/mol
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	0
Exact Mass	315.01274951 g/mol
Monoisotopic Mass	315.01274951 g/mol
Topological Polar Surface Area	155Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	563
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes
Physical Description	2,4,7-trinitrofluoren-9-one appears as pale yellow needles (from acetic acid or benzene) or yellow powder. (NTP, 1992)
Metling Point	348 °F (NTP, 1992)
Solubility	less than 1 mg/mL at 64 °F (NTP, 1992)
Vapor Pressure	1.1e-10 mmHg (NTP, 1992)

Source: PubChem

Source Species:

Vernonia amygdalina

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