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Fluorescent brightener 85

CAT: 0804-HY-D0520-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-D0520-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Fluorescent brightener 85 is an optical brightener dye.
CAS Number
17958-73-5
UNSPSC
12171500
Target
Fluorescent Dye
Type
Dye Reagents
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/fluorescent-brightener-85.html
Solubility
10 mM in DMSO
Smiles
O=S(C1=CC(NC2=NC(NCCO)=NC(NC3=CC=CC=C3)=N2)=CC=C1/C=C/C4=CC=C(C=C4S(=O)(O[Na])=O)NC5=NC(NCCO)=NC(NC6=CC=CC=C6)=N5)(O[Na])=O
Molecular Formula
C36H34N12Na2O8S2
Molecular Weight
872.84
References & Citations
[1]Vérité PM , et al.First-principles investigation of the double ESIPT process in a thiophene-based dye. Phys Chem Chem Phys. 2019 Jan 30;21 (5) :2307-2317.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Dye Reagents
Clinical Information
No Development Reported

Chemical Information

Fluorescent Brightener 85

See other relationships...

CAS Number17958-73-5
PubChem CID6440859
IUPAC Namedisodium;5-[[4-anilino-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-anilino-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
Molecular FormulaC36H34N12Na2O8S2
Molecular Weight872.8
Topological Polar Surface Area321
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count20
Rotatable Bond Count16
Heavy Atom Count60
Formal Charge0
Complexity1350
SMILES
C1=CC=C(C=C1)NC2=NC(=NC(=N2)NCCO)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=CC=C6)NCCO)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
InChI
InChI=1S/C36H36N12O8S2.2Na/c49-19-17-37-31-43-33(39-25-7-3-1-4-8-25)47-35(45-31)41-27-15-13-23(29(21-27)57(51,52)53)11-12-24-14-16-28(22-30(24)58(54,55)56)42-36-46-32(38-18-20-50)44-34(48-36)40-26-9-5-2-6-10-26;;/h1-16,21-22,49-50H,17-20H2,(H,51,52,53)(H,54,55,56)(H3,37,39,41,43,45,47)(H3,38,40,42,44,46,48);;/q;2*+1/p-2/b12-11+;;
InChIKey
HIMNALZNLAOESZ-YHPRVSEPSA-L
Chemical Structure
2D Structure
2D structure of Fluorescent Brightener 85
CAS: 17958-73-5
CID: 6440859
Formula: C36H34N12Na2O8S2
MW: 872.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight872.8
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count20
Rotatable Bond Count16
Exact Mass872.18593700
Monoisotopic Mass872.18593700
Topological Polar Surface Area321 Ų
Heavy Atom Count60
Formal Charge0
Complexity1350
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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