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Direct brown 95

CAT: 0013-GTR19339062-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19339062-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Direct Brown 95 is a dye extensively used in the textile industry for coloring fabrics. In histology and cytology, it functions as a staining agent, aiding in cell type differentiation. Additionally, it serves as a marker in molecular biology, facilitating the detection of DNA and RNA.
CAS Number
16071-86-6
Molecular Weight
760.1
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

C.I. Direct Brown 95

Direct Brown 95 (Technical Grade) can cause cancer according to an independent committee of scientific and health experts.

CAS Number16071-86-6
PubChem CID135585372
IUPAC Namecopper;disodium;2-hydroxy-5-[[4-[4-[[6-hydroxy-2-oxido-3-[(2-oxido-5-sulfonatophenyl)diazenyl]phenyl]diazenyl]phenyl]phenyl]diazenyl]benzoate
Molecular FormulaC31H18CuN6Na2O9S
Molecular Weight760.1
Topological Polar Surface Area266
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count15
Rotatable Bond Count7
Heavy Atom Count50
Formal Charge0
Complexity1210
SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)N=NC3=C(C=CC(=C3[O-])N=NC4=C(C=CC(=C4)S(=O)(=O)[O-])[O-])O)N=NC5=CC(=C(C=C5)O)C(=O)[O-].[Na+].[Na+].[Cu+2]
InChI
InChI=1S/C31H22N6O9S.Cu.2Na/c38-26-12-9-21(15-23(26)31(42)43)34-32-19-5-1-17(2-6-19)18-3-7-20(8-4-18)33-37-29-28(40)14-11-24(30(29)41)35-36-25-16-22(47(44,45)46)10-13-27(25)39;;;/h1-16,38-41H,(H,42,43)(H,44,45,46);;;/q;+2;2*+1/p-4
InChIKey
HZBTZQVWJPRVDN-UHFFFAOYSA-J
Chemical Structure
2D Structure
2D structure of C.I. Direct Brown 95
CAS: 16071-86-6
CID: 135585372
Formula: C31H18CuN6Na2O9S
MW: 760.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight760.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count15
Rotatable Bond Count7
Exact Mass758.994733
Monoisotopic Mass758.994733
Topological Polar Surface Area266 Ų
Heavy Atom Count50
Formal Charge0
Complexity1210
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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