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Mordant Blue 29

CAT: 0013-GTR19246685-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19246685-01Size:5 g
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Description
Chromeazurol S is a compound classified as an azo dye. It is frequently utilized as an indicator in analytical chemistry to detect metal ions such as copper, nickel, and cobalt. In the presence of these metal ions, Chromeazurol S changes color from yellow to blue, enabling their detection and quantification. This compound can be applied on test papers or directly added to solutions for analysis.
CAS Number
1667-99-8
Smiles
O=C (O[Na]) C (C (C (C) =C/1) O) =CC1=C (C2=CC (C (O[Na]) =O) =C (O) C (C) =C2) /C3=C (Cl) C=CC (S (=O) (O[Na]) =O) =C3Cl
Molecular Formula
C23H15Cl2Na3O9S
Molecular Weight
607.3
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

C.I. Mordant Blue 29

structure in first source

CAS Number1667-99-8
PubChem CID54736314
IUPAC Nametrisodium;5-[(3-carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-(2,6-dichloro-3-sulfonatophenyl)methyl]-3-methyl-2-oxidobenzoate
Molecular FormulaC23H13Cl2Na3O9S
Molecular Weight605.3
Topological Polar Surface Area183
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count38
Formal Charge0
Complexity1100
SMILES
CC1=CC(=CC(=C1[O-])C(=O)[O-])C(=C2C=C(C(=O)C(=C2)C(=O)O)C)C3=C(C=CC(=C3Cl)S(=O)(=O)[O-])Cl.[Na+].[Na+].[Na+]
InChI
InChI=1S/C23H16Cl2O9S.3Na/c1-9-5-11(7-13(20(9)26)22(28)29)17(12-6-10(2)21(27)14(8-12)23(30)31)18-15(24)3-4-16(19(18)25)35(32,33)34;;;/h3-8,26H,1-2H3,(H,28,29)(H,30,31)(H,32,33,34);;;/q;3*+1/p-3
InChIKey
FUIZKNBTOOKONL-UHFFFAOYSA-K
Chemical Structure
2D Structure
2D structure of C.I. Mordant Blue 29
CAS: 1667-99-8
CID: 54736314
Formula: C23H13Cl2Na3O9S
MW: 605.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight605.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass603.9350414
Monoisotopic Mass603.9350414
Topological Polar Surface Area183 Ų
Heavy Atom Count38
Formal Charge0
Complexity1100
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes

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