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C.I. Direct red 84

CAT: 0804-HY-D0425Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-D0425Size:1 Each
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
C.I. Direct red 84 is a good dyeing agent for cotton fabrics.
CAS Number
6409-83-2
UNSPSC
12171500
Target
Fluorescent Dye
Type
Dye Reagents
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/c-i-direct-red-84.html
Solubility
10 mM in DMSO
Smiles
O=C(NC1=CC=C(C=C1)/N=N/C2=CC=C(C3=C2C=CC(S(=O)(O[Na])=O)=C3)/N=N/C4=CC=C(S(=O)(O[Na])=O)C=C4)NC5=CC=C(C=C5)/N=N/C6=CC=C(C7=C6C=CC(S(=O)(O[Na])=O)=C7)/N=N/C8=CC=C(S(=O)(O[Na])=O)C=C8
Molecular Formula
C45H28N10Na4O13S4
Molecular Weight
1136.98
References & Citations
[1]Sawada K, Ueda M. Adsorption behavior of direct dye on cotton in non-aqueous media[J]. Dyes and pigments, 2003, 58 (1) : 37-40.
Shipping Conditions
Room temperature
Scientific Category
Dye Reagents
Clinical Information
No Development Reported

Chemical Information

Tetrasodium 5,5'-[carbonylbis(imino-4,1-phenyleneazo)]bis[8-[(4-sulphonatophenyl)azo]naphthalene-2-sulphonate]
CAS Number6409-83-2
PubChem CID169010
IUPAC Nametetrasodium;8-[(4-sulfonatophenyl)diazenyl]-5-[[4-[[4-[[6-sulfonato-4-[(4-sulfonatophenyl)diazenyl]naphthalen-1-yl]diazenyl]phenyl]carbamoylamino]phenyl]diazenyl]naphthalene-2-sulfonate
Molecular FormulaC45H28N10Na4O13S4
Molecular Weight1137.0
Topological Polar Surface Area402
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count21
Rotatable Bond Count10
Heavy Atom Count76
Formal Charge0
Complexity2190
SMILES
C1=CC(=CC=C1NC(=O)NC2=CC=C(C=C2)N=NC3=C4C=CC(=CC4=C(C=C3)N=NC5=CC=C(C=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC6=C7C=CC(=CC7=C(C=C6)N=NC8=CC=C(C=C8)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChI
InChI=1S/C45H32N10O13S4.4Na/c56-45(46-27-1-5-29(6-2-27)48-52-41-21-23-43(39-25-35(71(63,64)65)17-19-37(39)41)54-50-31-9-13-33(14-10-31)69(57,58)59)47-28-3-7-30(8-4-28)49-53-42-22-24-44(40-26-36(72(66,67)68)18-20-38(40)42)55-51-32-11-15-34(16-12-32)70(60,61)62;;;;/h1-26H,(H2,46,47,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68);;;;/q;4*+1/p-4
InChIKey
CRKUGZZYUKCLMC-UHFFFAOYSA-J
Chemical Structure
2D Structure
2D structure of Tetrasodium 5,5'-[carbonylbis(imino-4,1-phenyleneazo)]bis[8-[(4-sulphonatophenyl)azo]naphthalene-2-sulphonate]
CAS: 6409-83-2
CID: 169010
Formula: C45H28N10Na4O13S4
MW: 1137.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1137.0
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count21
Rotatable Bond Count10
Exact Mass1136.0310928
Monoisotopic Mass1136.0310928
Topological Polar Surface Area402 Ų
Heavy Atom Count76
Formal Charge0
Complexity2190
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count5
Compound Is CanonicalizedYes

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