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Diclone

CAT: 0931-T7074-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T7074-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
117-80-6
Target
Others, Antifungal
Related Pathways
Others, Microbiology/Virology
Purity
0.9902
Bioactivity
2, 3-Dichloro-1, 4-naphthoquinone is an inhibitor of Itch, a HECT domain-E3 ligase. It is also used in pesticide formulations.
Smiles
ClC1=C(Cl)C(=O)C2=C(C=CC=C2)C1=O
Molecular Formula
C10H4Cl2O2
Molecular Weight
227.04
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Dichlone

Dichlone is a yellow crystalline solid dissolved in a water-emulsifiable liquid carrier. Can cause illness by inhalation, skin absorption and/or ingestion. The primary hazard is the threat to the environment. Immediate steps should be taken to limit its spread to the environment. Can easily penetrate the soil and contaminate groundwater and nearby streams. Used as a fungicide.

CAS Number117-80-6
PubChem CID8342
IUPAC Name2,3-dichloronaphthalene-1,4-dione
Molecular FormulaC10H4Cl2O2
Molecular Weight227.04
XLogP3.4
Topological Polar Surface Area34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count14
Formal Charge0
Complexity301
SMILES
C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)Cl
InChI
InChI=1S/C10H4Cl2O2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H
InChIKey
SVPKNMBRVBMTLB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dichlone
CAS: 117-80-6
CID: 8342
Formula: C10H4Cl2O2
MW: 227.04
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight227.04
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass225.9588348
Monoisotopic Mass225.9588348
Topological Polar Surface Area34.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity301
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

Alternative Products

CatalogName
GTR19243164-01Diclone

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