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Calcon

CAT: 0013-GTR19202544Size: 50 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19202544Size:50 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Calcon, also known as Mordant Black 17, is a metallochromic indicator used for the detection and quantification of calcium ions. It is applied in biochemical research for calcium assays in vitro, including the analysis of water hardness and the study of calcium-binding processes in laboratory settings.
CAS Number
2538-85-4
Product Name Alternative
Diacromo Blue B, Calcon, NSC 47714, Mordant Black 17, NSC-47714, NSC47714, Magracrom Blue, Eriochrome Blue Black R
Purity
98.35% (May vary between batches)
Solubility
DMSO:50 mg/mL (120.08 mM)
Smiles
O=S ([O-]) (C1=CC (O) =C (C2=C1C=CC=C2) N=NC3=C (C=CC4=C3C=CC=C4) O) =O.[Na+]
Molecular Formula
C20H13N2NaO5S
Molecular Weight
416.39
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-Naphthalenesulfonic acid, 3-hydroxy-4-((2-hydroxy-1-naphthalenyl)azo)-, monosodium salt

See also: Acid Red 336 (annotation moved to); C.I. Acid Red 336 (annotation moved to); Calcon (annotation moved to).

CAS Number2538-85-4
PubChem CID135465074
IUPAC Namesodium 3-hydroxy-4-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate
Molecular FormulaC20H13N2NaO5S
Molecular Weight416.4
Topological Polar Surface Area131
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity685
SMILES
C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=C(C4=CC=CC=C43)S(=O)(=O)[O-])O)O.[Na+]
InChI
InChI=1S/C20H14N2O5S.Na/c23-16-10-9-12-5-1-2-6-13(12)19(16)21-22-20-15-8-4-3-7-14(15)18(11-17(20)24)28(25,26)27;/h1-11,23-24H,(H,25,26,27);/q;+1/p-1
InChIKey
ZQWICJYATMSSSD-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of 1-Naphthalenesulfonic acid, 3-hydroxy-4-((2-hydroxy-1-naphthalenyl)azo)-, monosodium salt
CAS: 2538-85-4
CID: 135465074
Formula: C20H13N2NaO5S
MW: 416.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass416.04428697
Monoisotopic Mass416.04428697
Topological Polar Surface Area131 Ų
Heavy Atom Count29
Formal Charge0
Complexity685
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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