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Barium lithol red

CAT: 0013-GTR19173496-05Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19173496-05Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Barium lithol red (HSDB 5523) is a blue-shade red pigment primarily utilized as a colorant in printing inks. In research contexts, it is studied for its physicochemical properties and potential applications in material science and analytical chemistry.
CAS Number
1103-38-4
Product Name Alternative
PR 258, PR258, PR-258, 1883 red, Barium lithol, Barium lithol red, HSDB5523, HSDB-5523, HSDB 5523
Purity
≥98% (May vary between batches)
Solubility
DMSO:Slightly soluble
Smiles
[O-]S (c (c1ccccc1cc1) c1N=Nc (c1ccccc1cc1) c1O) (=O) =O.[O-]S (c (c1ccccc1cc1) c1N=Nc (c1ccccc1cc1) c1O) (=O) =O.[Ba+2]
Molecular Formula
C40H26BaN4O8S2
Molecular Weight
892.11
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Barium lithol red
CAS Number1103-38-4
PubChem CID14199
IUPAC Namebarium(2+);bis(2-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate)
Molecular FormulaC40H26BaN4O8S2
Molecular Weight892.1
Topological Polar Surface Area221
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count4
Heavy Atom Count55
Formal Charge0
Complexity634
SMILES
C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C4=CC=CC=C4C=C3)S(=O)(=O)[O-])O.C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C4=CC=CC=C4C=C3)S(=O)(=O)[O-])O.[Ba+2]
InChI
InChI=1S/2C20H14N2O4S.Ba/c2*23-18-12-10-13-5-1-3-7-15(13)19(18)22-21-17-11-9-14-6-2-4-8-16(14)20(17)27(24,25)26;/h2*1-12,23H,(H,24,25,26);/q;;+2/p-2
InChIKey
LFZDEAVRTJKYAF-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Barium lithol red
CAS: 1103-38-4
CID: 14199
Formula: C40H26BaN4O8S2
MW: 892.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight892.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count4
Exact Mass892.024453
Monoisotopic Mass892.024453
Topological Polar Surface Area221 Ų
Heavy Atom Count55
Formal Charge0
Complexity634
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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