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Direct Blue 108

CAT: 0804-HY-D2253Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-D2253Size:1 Each
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Description
Direct Blue 108 has the structure of triphenyl two oxazine, and can be used in dyeing of cotton, viscose fiber, silk and its blended fabrics[1].
CAS Number
1324-58-9
UNSPSC
12171500
Target
Fluorescent Dye
Type
Dye Reagents
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/direct-blue-108.html
Solubility
10 mM in DMSO
Smiles
CCN1C2=C(C=CC(S(=O)(O[Na])=O)=C2C3=CC4=C(C=C31)OC5=C(Cl)C6=NC7=CC8=C(C=C7OC6=C(Cl)C5=N4)N(CC)C9=CC=CC(S(=O)(O[Na])=O)=C98)S(=O)(O[Na])=O
Molecular Formula
C34H19Cl2N4Na3O11S3
Molecular Weight
895.61
References & Citations
[1]Yang ZHU, et al. Oxidation Decoloration Kinetics of C.I. Direct Blue 108 in Activated Oxygen Bleach Systems. Advanced Materials Research Vols 332-334 (2011) pp 391-394
Shipping Conditions
Room temperature
Scientific Category
Dye Reagents
Clinical Information
No Development Reported

Chemical Information

Remastral blue ffrl

See other relationships...

CAS Number1324-58-9
PubChem CID91873246
IUPAC Nametrisodium;2,20-dichloro-14,32-diethyl-18,36-dioxa-4,14,22,32-tetrazanonacyclo[19.15.0.03,19.05,17.07,15.08,13.023,35.025,33.026,31]hexatriaconta-1,3,5(17),6,8,10,12,15,19,21,23(35),24,26(31),27,29,33-hexadecaene-9,12,27-trisulfonate
Molecular FormulaC34H19Cl2N4Na3O11S3
Molecular Weight895.6
Topological Polar Surface Area250
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count13
Rotatable Bond Count2
Heavy Atom Count57
Formal Charge0
Complexity2040
SMILES
CCN1C2=C(C(=CC=C2)S(=O)(=O)[O-])C3=CC4=C(C=C31)OC5=C(C6=NC7=C(C=C8C(=C7)C9=C(C=CC(=C9N8CC)S(=O)(=O)[O-])S(=O)(=O)[O-])OC6=C(C5=N4)Cl)Cl.[Na+].[Na+].[Na+]
InChI
InChI=1S/C34H22Cl2N4O11S3.3Na/c1-3-39-18-6-5-7-23(52(41,42)43)26(18)14-10-16-21(12-19(14)39)50-33-29(36)31-34(28(35)30(33)37-16)51-22-13-20-15(11-17(22)38-31)27-24(53(44,45)46)8-9-25(54(47,48)49)32(27)40(20)4-2;;;/h5-13H,3-4H2,1-2H3,(H,41,42,43)(H,44,45,46)(H,47,48,49);;;/q;3*+1/p-3
InChIKey
VCTDLSMTPQUQMZ-UHFFFAOYSA-K
Chemical Structure
2D Structure
2D structure of Remastral blue ffrl
CAS: 1324-58-9
CID: 91873246
Formula: C34H19Cl2N4Na3O11S3
MW: 895.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight895.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count13
Rotatable Bond Count2
Exact Mass893.9282592
Monoisotopic Mass893.9282592
Topological Polar Surface Area250 Ų
Heavy Atom Count57
Formal Charge0
Complexity2040
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes

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