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Chlorothalonil

CAT: 1410-M27190-03Size: 1 gDry Ice: NoHazardous: No
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CAT#:1410-M27190-03Size:1 g
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Description
Chlorothalonil is a broad-spectrum fungicide with high efficiency and low toxicity.
CAS Number
1897-45-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
265.9
Molecular Formula
C8Cl4N2
Notes
Research use only, not for human use.
Receptor
MGlu7| mGlu8

Chemical Information

Chlorothalonil

Chlorothalonil can cause cancer according to an independent committee of scientific and health experts.

CAS Number1897-45-6
PubChem CID15910
IUPAC Name2,4,5,6-tetrachlorobenzene-1,3-dicarbonitrile
Molecular FormulaC8Cl4N2
Molecular Weight265.9
XLogP2.9
Topological Polar Surface Area47.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count14
Formal Charge0
Complexity284
SMILES
C(#N)C1=C(C(=C(C(=C1Cl)Cl)Cl)C#N)Cl
InChI
InChI=1S/C8Cl4N2/c9-5-3(1-13)6(10)8(12)7(11)4(5)2-14
InChIKey
CRQQGFGUEAVUIL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Chlorothalonil
CAS: 1897-45-6
CID: 15910
Formula: C8Cl4N2
MW: 265.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight265.9
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass265.878609
Monoisotopic Mass263.881559
Topological Polar Surface Area47.6 Ų
Heavy Atom Count14
Formal Charge0
Complexity284
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
CS-T-51055Chlorothalonil
sc-490015Hydroxy Chlorothalonil
HY-N6625SChlorothalonil-13C2
HY-N6625R-01Chlorothalonil (Standard)
C135672Chlorothalonil-13C215N2
AR-C07188-01Chlorothalonil-13C8
GTR19150901Chlorothalonil-KLH conj.

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