Chemical Properties of Bromoxylenol blue (CAS 216771-60-7)

Bromoxylenol blue

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InChI
InChI=1S/C23H20Br2O5S/c1-11-9-16(13(3)19(24)21(11)26)23(17-10-12(2)22(27)20(25)14(17)4)15-7-5-6-8-18(15)31(28,29)30-23/h5-10,26-27H,1-4H3
InChI Key
MRDOFVRMTNWMDA-UHFFFAOYSA-N
Formula
C23H20Br2O5S
SMILES
Cc1cc(C2(c3cc(C)c(O)c(Br)c3C)OS(=O)(=O)c3ccccc32)c(C)c(Br)c1O
Molecular Weight1
568.28
CAS
216771-60-7
Sources

Physical Properties

Property Value Unit Source
Δf -360.66 kJ/mol Joback Calculated Property
Δfgas -684.63 kJ/mol Joback Calculated Property
Δfus 67.58 kJ/mol Joback Calculated Property
Δvap 138.05 kJ/mol Joback Calculated Property
logPoct/wat 5.87 Crippen Calculated Property
Pc 3072.75 kPa Joback Calculated Property
Tboil 1194.86 K Joback Calculated Property
Tc 1476.27 K Joback Calculated Property
Tfus 1014.93 K Joback Calculated Property
Vc 1.15 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1088.04 J/mol×K 1194.86 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (ring) 1
-S- (ring) 1
=CH- (ring) 6
=C< (ring) 12
>C< (ring) 1
=O 2
-CH3 4
-OH (phenol) 2
-Br 2

Similar Compounds

Thymolsulfonephthalein. Cyanocobalamin. Tetracycline hydrochloride. Ergocristin. Cupric trifluoroacetylacetonate. Chlortetracycline hydrochloride. ERGOTAMINE. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Ergotamine, dihydro, methanesulfonate (salt). DIHYDROERGOTAMINE. 6-O,N-Diacetylnorcodeine. Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'«alpha»)-. Brucine. 3-O,6-O,N-Triacetylnormorphine. AJMALINE, M(NOR-), AC.

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