Phenol,4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-, sodium salt(1:1) (34725-61-6)

The IUPAC name of Bromophenol blue sodium salt is sodium 3,5-dibromo-4-[3-(2,6-dibromo-4-hydroxyphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]phenolate. With the CAS registry number 34725-61-6, it is also named as Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis(2,6-dibromo-, monosodium salt. The product's categories are biochemistry; reagents for electrophoresis; analytical chemistry; indicator (pH); pH indicators. It is pink or purple powder which is soluble in water and slightly soluble in alcohol. In addition, Bromophenol blue sodium salt should be stored in a tightly closed container which muat placed in a cool and dry aera.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 7.52; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 7.51; (4)ACD/LogD (pH 7.4): 6.96; (5)#H bond acceptors: 5; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 4; (8)Flash Point: 369.9 °C; (9)Enthalpy of Vaporization: 104.48 kJ/mol; (10)Boiling Point: 688 °C at 760 mmHg; (11)Vapour Pressure: 1.46E-19 mmHg at 25°C; (12)Rotatable Bond Count: 2; (13)Tautomer Count: 2; (14)Exact Mass: 691.676096; (15)MonoIsotopic Mass: 687.680189; (16)Topological Polar Surface Area: 95; (17)Heavy Atom Count: 30; (18)Complexity: 700.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. And it is also irritating to eyes, respiratory system and skin, so people should not breathe dust and avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.

People can use the following data to convert to the molecule structure. 
1. SMILES: [Na+].Brc1cc(O)cc(Br)c1C3(OS(=O)(=O)c2ccccc23)c4c(Br)cc([O-])cc4Br;
2. InChI: InChI=1/C19H10Br4O5S.Na/c20-12-5-9(24)6-13(21)17(12)19(18-14(22)7-10(25)8-15(18)23)11-3-1-2-4-16(11)29(26,27)28-19;/h1-8,24-25H;/q;+1/p-1.