Chemical Properties of 2,4,7-Trinitrofluorenone (CAS 129-79-3)

2,4,7-Trinitrofluorenone

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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
InChI Key
VHQGURIJMFPBKS-UHFFFAOYSA-N
Formula
C13H5N3O7
SMILES
O=C1c2cc([N+](=O)[O-])ccc2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-]
Molecular Weight1
315.19
CAS
129-79-3
Other Names
  • 2,4,7-Trinitro-9-fluorenone
  • 2,4,7-Trinitrofluoren-9-one
  • 9H-Fluoren-9-one, 2,4,7-trinitro-
  • Fluoren-9-one, 2,4,7-trinitro-
  • TNF
Sources

Physical Properties

Property Value Unit Source
Δf 311.97 kJ/mol Joback Calculated Property
Δfgas 39.54 kJ/mol Joback Calculated Property
Δfus 50.42 kJ/mol Joback Calculated Property
Δvap 106.29 kJ/mol Joback Calculated Property
logPoct/wat 2.62 Crippen Calculated Property
Pc 3480.65 kPa Joback Calculated Property
Tboil 1101.31 K Joback Calculated Property
Tc 1405.24 K Joback Calculated Property
Tfus 449.00 ± 0.30 K NIST
Tfus 449.00 ± 0.50 K NIST
Tfus 448.15 ± 2.00 K NIST
Vc 0.77 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 561.97 J/mol×K 1101.31 Joback Calculated Property
ΔfusH 23.50 kJ/mol 449.2 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 7
-NO2 3
>C=O (ring) 1
=CH- (ring) 5

Similar Compounds

9H-fluoren-9-one, 2,4,5,7-tetranitro-. 4-Nitrofluorene. 9H-fluoren-9-one, 2,7-dinitro-. 2,6-Dinitro-9h-fluoren-9-one. 4-Amino-9-fluorenone. Acetamide, n-(3,7-dinitro-9-oxofluoren-2-yl)-,. 4-Acetamido-9-fluorenone. 4-Nitrofluorene-d9. 2-Nitrofluorene-d9. 9H-fluoren-9-one, 3-nitro-. Chlortetracycline hydrochloride. Fluoren-9-one, 2-ethylamino-. 3-Nitrobenzanthrone. Ergocristin. Tetracycline hydrochloride.

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