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Bromocresol purple sodium

CAT: 0013-GTR19345945-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19345945-01Size:50 mg
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Description
Bromocresol Purple sodium salt is a water-soluble pH indicator that changes from yellow to purple over the range of pH 5.2 to 6.8. It is utilized in various biochemical assays and microbiological media for both in vitro research, such as cell culture and diagnostic tests.
CAS Number
62625-30-3
Molecular Weight
562.2
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Bromcresol Purple sodium
CAS Number62625-30-3
PubChem CID3830446
IUPAC Namesodium 2-[(3-bromo-4-hydroxy-5-methylphenyl)-(3-bromo-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate
Molecular FormulaC21H15Br2NaO5S
Molecular Weight562.2
Topological Polar Surface Area103
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count30
Formal Charge0
Complexity874
SMILES
CC1=CC(=CC(=C1O)Br)C(=C2C=C(C(=O)C(=C2)Br)C)C3=CC=CC=C3S(=O)(=O)[O-].[Na+]
InChI
InChI=1S/C21H16Br2O5S.Na/c1-11-7-13(9-16(22)20(11)24)19(14-8-12(2)21(25)17(23)10-14)15-5-3-4-6-18(15)29(26,27)28;/h3-10,24H,1-2H3,(H,26,27,28);/q;+1/p-1
InChIKey
KVSJYIXUWNOWBD-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Bromcresol Purple sodium
CAS: 62625-30-3
CID: 3830446
Formula: C21H15Br2NaO5S
MW: 562.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight562.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass561.88841
Monoisotopic Mass559.89046
Topological Polar Surface Area103 Ų
Heavy Atom Count30
Formal Charge0
Complexity874
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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