Chemical Properties of 2',4'-Dinitro-5'-fluoroacetanilide (CAS 1548-18-1)

2',4'-Dinitro-5'-fluoroacetanilide

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InChI
InChI=1S/C8H6FN3O5/c1-4(13)10-6-2-5(9)7(11(14)15)3-8(6)12(16)17/h2-3H,1H3,(H,10,13)
InChI Key
LZBXUWOTXPNTNQ-UHFFFAOYSA-N
Formula
C8H6FN3O5
SMILES
CC(=O)Nc1cc(F)c([N+](=O)[O-])cc1[N+](=O)[O-]
Molecular Weight1
243.15
CAS
1548-18-1
Sources

Physical Properties

Property Value Unit Source
Δf -63.24 kJ/mol Joback Calculated Property
Δfgas -283.07 kJ/mol Joback Calculated Property
Δfus 41.85 kJ/mol Joback Calculated Property
Δvap 83.21 kJ/mol Joback Calculated Property
logPoct/wat 1.60 Crippen Calculated Property
Pc 3695.46 kPa Joback Calculated Property
Tboil 831.05 K Joback Calculated Property
Tc 1087.11 K Joback Calculated Property
Tfus 634.30 K Joback Calculated Property
Vc 0.60 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 403.41 J/mol×K 831.05 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>C=O (nonring) 1
=CH- (ring) 2
-NO2 2
=C< (ring) 4
-F 1
>NH 1
-CH3 1

Similar Compounds

2,4-Dinitro acetanilide. 4'-Fluoro-2'-nitroacetanilide. 2-Nitro-3,4,6-trifluoroacetanilide. 2,4-Difluoro-6-nitroacetanilide. Acetamide, n,n'-(4,6-difluoro-2-nitro-m-phenylene)bis-. Acetamide, N-(2-nitrophenyl)-. N'-(2,4-dinitrophenyl)-n,n-dimethylurea. Benzenamine, N-methyl-2,4-dinitro-. 4'-Bromo-2'-nitroacetanilide. Acetamide, n-(4-methoxy-2-nitrophenyl)-. 4-Ethoxy-2-nitro acetanilide. 1-(2,4,6-Trinitrophenyl)piperidine. 1H-Pyrrole-2,5-dione, 1-[4-(dimethylamino)-3,5-dinitrophenyl]-. 2,4,6-Trinitro-N-methyl-aniline. Alpha-(2,4-dinitrophenylamino) adipic acid.

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