Constituent Bromophenol Blue sodium salt C19H9Br4NaO5S | SSHADE

Processing math: 33%

Constituent

Name: Bromophenol Blue sodium salt C19H9Br4NaO5S
Official name: Bromophenol blue

Family: molecular solid
Class: polar molecular solid
Compound type: organic molecular solid

Constituent abundance in material

Relevance: main - major
Arrangement: single phase
Mass fraction: 1.0
Mole fraction: 1.0

Chemical composition

Formula: $((C_6H_2)Br_2OH)_2C(C_6H_4)SO_3$
Chemical formula: (C6H2Br2OH)2C(C6H4)SO3
Elemental formula: C19 H10 O5 Br4 S
Isotope mixture type: terrestrial abundance

	Formula	Name	Family	Number min-max	Mole fraction	Isotope mole fraction	State	Relevance
	$((C_6H_2)_{cycl}Br_2OH)_2C(C_6H_4)_{cycl}SO_3$	Bromophenol blue	molecule	1	1.0	1	pure	main

Chemical functions and bonds

Chemical functions

	Function	Number	Relevance
	$R-OH$	2	main
	$R-Br$	4	main
	$R-C=CH-CH=CH-CH=CH- cycl$	3	main
	$R-(O=S=O)-O-R$	1	main

Chemical bonds

	Bond	Number	Relevance
	$\eqslantgtr C-C\leq$	12	main
	$>C=C<$	9	main
	$\geq C-H$	8	main
	$-O-H$	2	main
	$\eqslantgtr C-O-$	2	main
	$\geq C-O-$	1	main
	$\eqslantgtr C-S \ll -$	1	main
	$\geqq S=O$	1	main
	$-\gg S-O-$	1	main

Class: molecular solids with polar molecules (02)
Type: with polyatomic organic polar molecules (CnHm...) (02.01)
Group: mixed hydrocarbons (02.01.05)

Phase type: crystalline

Texture: polycrystalline

Physical properties

Molar mass: 669.96 $g/mol$
Density: 2.2 (predicted) $g/cm^3$

Optical properties

Refringence type: unknown
Refraction index $n_{\alpha}$: 1.743
Color: light pink to purple (Yellow to blue in solution, depending on pH)