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Catechol violet

CAT: 0804-HY-D0798-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-D0798-01Size:100 mg
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Description
Catechol violet is an efficient and versatile ligand for Cu (I) -catalyzed C-S coupling reactions. Catechol violet is also a complexometric indicator dye[1][2].
CAS Number
115-41-3
UNSPSC
12352200
Hazard Statement
H315, H319
Target
Fluorescent Dye
Type
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/catechol-violet.html
Purity
90.0
Solubility
DMSO : 35 mg/mL (ultrasonic) |H2O : 20 mg/mL (ultrasonic)
Smiles
O=S1(OC(C2=CC=C(C(O)=C2)O)(C3=C1C=CC=C3)C4=CC=C(C(O)=C4)O)=O
Molecular Formula
C19H14O7S
Molecular Weight
386.38
Precautions
H315, H319
References & Citations
[1]Basudeb Basu, et al. Catechol violet as new, efficient, and versatile ligand for Cu (I) -catalyzed C–S coupling reactions. Tetrahedron Letters. Volume 50, Issue 39, 30 September 2009, Pages 5523-5528 |[2]An automatic colorimetric determination of aluminium in soil extracts using catechol violet. Communications in Soil Science and Plant Analysis. Volume 13, 1982- Issue 5.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

Pyrocatechol Violet

triphenylmethane dye which inhibits synthesis of globin in reticulocyte lysates; inhibits initiation of protein synthesis; structure

CAS Number115-41-3
PubChem CID66993
IUPAC Name4-[3-(3,4-dihydroxyphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]benzene-1,2-diol
Molecular FormulaC19H14O7S
Molecular Weight386.4
XLogP2.3
Topological Polar Surface Area133
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count27
Formal Charge0
Complexity619
SMILES
C1=CC=C2C(=C1)C(OS2(=O)=O)(C3=CC(=C(C=C3)O)O)C4=CC(=C(C=C4)O)O
InChI
InChI=1S/C19H14O7S/c20-14-7-5-11(9-16(14)22)19(12-6-8-15(21)17(23)10-12)13-3-1-2-4-18(13)27(24,25)26-19/h1-10,20-23H
InChIKey
RRRCKIRSVQAAAS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pyrocatechol Violet
CAS: 115-41-3
CID: 66993
Formula: C19H14O7S
MW: 386.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight386.4
XLogP32.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass386.04602395
Monoisotopic Mass386.04602395
Topological Polar Surface Area133 Ų
Heavy Atom Count27
Formal Charge0
Complexity619
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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