chempirical

Trinitrofluorenone

C13H5N3O7CAS 129-79-3315.20 g/mol

Open in Covalent MOL file
ON+OO−N+OO−N+OO−
KetoneNitro

Properties

Molecular formula
C13H5N3O7
Molar mass
315.20 g/mol
Exact mass
315.0127 Da
Melting point
175.2–176 °C
Water solubility
< 1 g/L (17.8 °C)
logP
2.62Crippen estimate
Polar surface area
146.5 Ų
H-bond donors / acceptors
0 / 7
Rotatable bonds
3

Hazards

Danger
Explosive (GHS01)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number
129-79-3
SMILES
O=C1c2cc([N+](=O)[O-])ccc2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-]
InChIKey
VHQGURIJMFPBKS-UHFFFAOYSA-N
InChI
InChI=1S/C13H5N3O7/c17-13-9-3-6(14(18)19)1-2-8(9)12-10(13)4-7(15(20)21)5-11(12)16(22)23/h1-5H

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Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names
  • 9H-Fluoren-9-one, 2,4,7-trinitro-
  • Fluoren-9-one, 2,4,7-trinitro-
  • 2,4,7-Trinitro-9H-fluoren-9-one
  • 2,4,7-Trinitrofluoren-9-one
  • TNF
  • 2,4,7-Trinitrofluorenone
  • TNF (ketone)
  • 2,4,7-Trinitrofluorone
  • 9-Oxo-2,4,7-trinitrofluorene
  • NSC 12367

Reactions

Work with Trinitrofluorenone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,4,5,7-Tetranitro-9-fluorenone746-53-275 % similar 2,7-Dinitro-9-fluorenone31551-45-872 % similar 4,4'-Dinitrodiphenic acid20246-81-551 % similar 2,5-Dinitrobenzoic acid610-28-650 % similar 2,4-Dinitrobenzoic acid610-30-050 % similar Bis(2,4-dinitrophenyl) oxalate16536-30-448 % similar 4-Nitrophthalic anhydride5466-84-245 % similar 4-Nitrophthalic acid610-27-545 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook