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DHBS

CAT: 0931-T18972Size: 1 gDry Ice: NoHazardous: No
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CAT#:0931-T18972Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
54970-72-8
Target
Others
Related Pathways
Others
Purity
0.9959
Bioactivity
DHBS (DCHBS) is used in conjunction with 4-aminoantipyrine (4-AAP) and H2O2 for chromogenic quantitation of peroxidase in coupled enzymatic reactions.
Smiles
[Na+].Oc1c(Cl)cc(Cl)cc1S([O-])(=O)=O
Molecular Formula
C6H3Cl2NaO4S
Molecular Weight
265.05
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Sodium 3,5-dichloro-2-hydroxybenzenesulphonate
CAS Number54970-72-8
PubChem CID3085077
IUPAC Namesodium 3,5-dichloro-2-hydroxybenzenesulfonate
Molecular FormulaC6H3Cl2NaO4S
Molecular Weight265.05
Topological Polar Surface Area85.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity278
SMILES
C1=C(C=C(C(=C1S(=O)(=O)[O-])O)Cl)Cl.[Na+]
InChI
InChI=1S/C6H4Cl2O4S.Na/c7-3-1-4(8)6(9)5(2-3)13(10,11)12;/h1-2,9H,(H,10,11,12);/q;+1/p-1
InChIKey
NMWCVZCSJHJYFW-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Sodium 3,5-dichloro-2-hydroxybenzenesulphonate
CAS: 54970-72-8
CID: 3085077
Formula: C6H3Cl2NaO4S
MW: 265.05
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight265.05
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass263.9026794
Monoisotopic Mass263.9026794
Topological Polar Surface Area85.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity278
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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