Cas no 33551-92-7 (bromophenol blue sodium salt)
bromophenol blue sodium salt structure
Product Name:bromophenol blue sodium salt
CAS No:33551-92-7
MF:C19H9Br4NaO5S
MW:691.942532300949
CID:918120
Update Time:2024-06-14
bromophenol blue sodium salt Chemical and Physical Properties
Names and Identifiers
-
- bromophenol blue sodium salt
- sodium,3,5-dibromo-4-[3-(2,6-dibromo-4-hydroxyphenyl)-1,1-dioxo-2,1λ<sup>6</sup>-benzoxathiol-3-yl]phenolate
- EINECS 252-170-2
- Phenol,4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis(2,6-dibromo-,monosodium salt
- UNII-1YEO6NB5V5
- TETRABROMO-3,3',5,5'-PHENOLSULPHONPHTALEIN SODIUM SALT
- SODIUM 3',3'',5',5''-TETRABROMOPHENOL SULFONEPHTHALATE
- SODIUM BROMOPHENOL BLUE
- BROMOPHENOL BLUE NA-SALT
- BROMPHENOL BLUE
- BROMPHENOL BLUE, SODIUM SALT
- BROMPHENOL BLUE SODIUM SALT, WATER SOLUBLE
- BROMOPHENOL BLUE, WATER SOLUBLE
-
- Inchi： 1S/C19H10Br4O5S.Na/c20-12-5-9(6-13(21)18(12)24)17(10-7-14(22)19(25)15(23)8-10)11-3-1-2-4-16(11)29(26,27)28;/h1-8,24H,(H,26,27,28);/q;+1/p-1
- InChI Key： TWKDJMRHSLWRFI-UHFFFAOYSA-M
- SMILES： C(=C1/C=C(C(=O)C(Br)=C/1)Br)(\C1=CC(=C(O)C(Br)=C1)Br)/C1C=CC=CC=1S([O-])(=O)=O.[Na+]
Computed Properties
- Exact Mass: 687.68000
- Monoisotopic Mass: 687.680189
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 30
- Rotatable Bond Count: 2
- Complexity: 700
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 95
Experimental Properties
- Density: 0.985
- Melting Point: 300 °C
- PSA: 102.88000
- LogP: 6.84430
bromophenol blue sodium salt Related Literature
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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