Chemical Properties of N-(3-Bromo-4-hydroxy-phenyl)-4-nitro-benzenesulfonamide, O,N-di(pentafluoropropionyl)-

N-(3-Bromo-4-hydroxy-phenyl)-4-nitro-benzenesulfonamide, O,N-di(pentafluoropropionyl)-

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InChI
InChI=1S/C18H7BrF10N2O7S/c19-11-7-9(3-6-12(11)38-14(33)16(22,23)18(27,28)29)30(13(32)15(20,21)17(24,25)26)39(36,37)10-4-1-8(2-5-10)31(34)35/h1-7H
InChI Key
PSQBNIGRERUAML-UHFFFAOYSA-N
Formula
C18H7BrF10N2O7S
SMILES
O=C(Oc1ccc(N(C(=O)C(F)(F)C(F)(F)F)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1Br)C(F)(F)C(F)(F)F
Molecular Weight1
665.21
Sources

Physical Properties

Property Value Unit Source
Δf -2310.86 kJ/mol Joback Calculated Property
Δfgas -2699.93 kJ/mol Joback Calculated Property
Δfus 65.87 kJ/mol Joback Calculated Property
Δvap 108.45 kJ/mol Joback Calculated Property
logPoct/wat 5.380 Crippen Calculated Property
Pc 1795.46 kPa Joback Calculated Property
Tboil 1067.70 K Joback Calculated Property
Tc 1307.28 K Joback Calculated Property
Tfus 795.13 K Joback Calculated Property
Vc 1.282 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 948.27 J/mol×K 1067.7 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-F 10
=CH- (ring) 7
-NO2 1
-S- 1
=C< (ring) 5
>N- 1
>C< 4
=O 2
>C=O (nonring) 2
-Br 1

Similar Compounds

N-(3-Bromo-4-hydroxy-phenyl)-4-nitro-benzenesulfonamide, O,N-di(trifluoroacetyl)-. Thebaine. 4-Chloro-N-(2-methyl-4-nitrophenyl)-benzenesulfonamide, N-pentafluoropropionyl-. Nalmefene, bis(trifluoroacetate). 4-Chloro-N-(2-methyl-4-nitrophenyl)-benzenesulfonamide, N-heptafluorobutyryl-. Octaethyl-porphyrin, Si-(OTBDMS)2-derivative. Brucine. Naloxone, bis(trimethylsilyl) ether. Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'«alpha»)-. Heptafluorobutyryl-codeine. Chlortetracycline hydrochloride. Codeinone, 14-hydroxy-. Etorphine. Ergocristin. Oxymorphone, bis(trimethylsilyl) ether.

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