Bromopyrogallol red

Base Information

• Chemical Name: Bromopyrogallol red
• CAS No.: 16574-43-9
• Deprecated CAS: 1528-73-0
• Molecular Formula: C19H10Br2O8S
• Molecular Weight: 558.15
• Hs Code.: 32041900
• European Community (EC) Number: 240-632-6
• NSC Number: 315537
• UNII: A6NS5EJ2GF
• DSSTox Substance ID: DTXSID0066082
• Nikkaji Number: J208.298E
• Wikipedia: Bromopyrogallol red
• Wikidata: Q926954
• ChEMBL ID: CHEMBL3692122
• Mol file: 16574-43-9.mol

Synonyms:Bromopyrogallol red;16574-43-9;2',7'-Dibromo-3',4',5',6'-tetrahydroxyspiro[benzo[c][1,2]oxathiole-3,9'-xanthene] 1,1-dioxide;Pyrogallol bromine red;Brompyrogallol Red;C19H10Br2O8S;Dibromopyrogallolsulfonphthaleine;A6NS5EJ2GF;Spiro(3H-2,1-benzoxathiole-3,9'-(9H)xanthene)-3',4',5',6'-tetrol, 2',7'-dibromo-, 1,1-dioxide;EINECS 240-632-6;NSC 315537;NSC-315537;Spiro[3H-2,1-benzoxathiole-3,9'-[9H]xanthene]-3',4',5',6'-tetrol, 2',7'-dibromo-, 1,1-dioxide;AI3-63055;2',7'-dibromo-1,1-dioxospiro[2,1lambda6-benzoxathiole-3,9'-xanthene]-3',4',5',6'-tetrol;2',7'-Dibromo-3',4',5',6'-tetrahydroxyspiro[benzo-[c][1,2]oxathiole-3,9'-xanthene] 1,1-dioxide;alpha-(5-Bromo-2,3-dihydroxy-4-oxo-2,5-cyclohexadienylidene)-alpha-(5-bromo-2,3,4-trihydroxyphenyl)toluenesulphonic acid;Brompyrogallolrot;MFCD00148865;UNII-A6NS5EJ2GF;SCHEMBL2858413;US8987474, Bromopyrogallol;CHEMBL3692122;DTXSID0066082;Ethyl-phosphonic acidDiethyl ester;BDBM152155;C19-H10-Br2-O8-S;NSC315537;ZINC05641946;AKOS015904106;FT-0623261;B-8944;D89613;A882374;Q926954;Bromopyrogallol Red, indicator grade, Dye content 70 %;2',7'-dibromo-1,1-dioxospiro[2,1$l^{6-benzoxathiole-3,9'-xanthene]-3',4',5',6'-tetrol;Spiro[3H-2,9'-[9H]xanthene]-3',4',5',6'-tetrol, 2',7'-dibromo-, 1,1-dioxide;Spiro[3H-2,9'-xanthene]-3',4',5',6'-tetrol, 2',7'-dibromo-, 1,1-dioxide

Chemical Property of Bromopyrogallol red

Chemical Property:

• Appearance/Colour: green to dark brown crystalline powder
• Melting Point: 300 °C
• Boiling Point: 681.206 °C at 760 mmHg
• PKA: 6.63±0.20(Predicted)
• Flash Point: 365.781 °C
• PSA: 141.90000
• Density: 2.399 g/cm³
• LogP: 5.23130
• Storage Temp.: 2-8°C
• Water Solubility.: slightly soluble
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 0
• Exact Mass: 557.84426
• Heavy Atom Count: 30
• Complexity: 756

Purity/Quality:

98%,99%, ^*data from raw suppliers

Bromopyrogallol Red ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 24/25-22-36-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C3(C4=CC(=C(C(=C4OC5=C(C(=C(C=C53)Br)O)O)O)O)Br)OS2(=O)=O
• Uses: Bromopyrogallol Red (cas# 16574-43-9) is a useful indicator which has been used in the detection of metals (such as Ca, Mg) and metal ions in water. Colorimetric sensor arrays have also been used for the quantitative analysis of modeled ATP hydrolysis in water.