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Solvent Yellow 93

CAT: 0013-GTR19155724-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19155724-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Solvent Yellow 93, an azomethine dye, is used as a colorant of toner.
CAS Number
4702-90-3
Purity
>98% (HPLC)
Solubility
DMSO:6 mg/mL (16.74 mM; Need ultrasonic)
Smiles
CC (C (/C=C (\C (C) =NN1c2ccccc2) /C1=O) C1=O) =NN1c1ccccc1
Molecular Formula
C21H18N4O2
Molecular Weight
358.39
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

C.I. Solvent Yellow 93
CAS Number4702-90-3
PubChem CID5705091
IUPAC Name(4E)-5-methyl-4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methylidene]-2-phenylpyrazol-3-one
Molecular FormulaC21H18N4O2
Molecular Weight358.4
XLogP2.8
Topological Polar Surface Area65.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity712
SMILES
CC1=NN(C(=O)C1/C=C/2\C(=NN(C2=O)C3=CC=CC=C3)C)C4=CC=CC=C4
InChI
InChI=1S/C21H18N4O2/c1-14-18(20(26)24(22-14)16-9-5-3-6-10-16)13-19-15(2)23-25(21(19)27)17-11-7-4-8-12-17/h3-13,18H,1-2H3/b19-13+
InChIKey
QPAPQRFSPBUJAU-CPNJWEJPSA-N
Chemical Structure
2D Structure
2D structure of C.I. Solvent Yellow 93
CAS: 4702-90-3
CID: 5705091
Formula: C21H18N4O2
MW: 358.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight358.4
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass358.14297583
Monoisotopic Mass358.14297583
Topological Polar Surface Area65.3 Ų
Heavy Atom Count27
Formal Charge0
Complexity712
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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