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Ioxynil

CAT: 0804-HY-121287-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-121287-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Ioxynil is an herbicide that act as endocrine disruptor. Ioxynil can disrupt vascular and heart development in zebrafish[1].
CAS Number
1689-83-4
UNSPSC
12352005
Hazard Statement
H301+H331, H312, H319, H361, H373, H410
Target
Herbicide
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Neuroscience-Neuromodulation
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/ioxynil.html
Purity
98.0
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
N#CC1=CC(I)=C(C(I)=C1)O
Molecular Formula
C7H3I2NO
Molecular Weight
370.91
Precautions
H301+H331, H312, H319, H361, H373, H410
References & Citations
[1]Holtze MS, et, al. Microbial degradation of the benzonitrile herbicides dichlobenil, bromoxynil and ioxynil in soil and subsurface environments--insights into degradation pathways, persistent metabolites and involved degrader organisms. Environ Pollut. 2008 Jul;154 (2) :155-68.|[2]Li YF, et, al. Ioxynil and diethylstilbestrol disrupt vascular and heart development in zebrafish. Environ Int. 2019 Mar:124:511-520.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light, stored under nitrogen)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Ioxynil

Ioxynil is a nitrile that is benzonitrile substituted by a hydroxy group at position 4 and iodo groups at positions 3 and 5. It has a role as a herbicide, a xenobiotic and an environmental contaminant. It is a nitrile and an iodophenol.

CAS Number1689-83-4
PubChem CID15530
IUPAC Name4-hydroxy-3,5-diiodobenzonitrile
Molecular FormulaC7H3I2NO
Molecular Weight370.91
XLogP2
Topological Polar Surface Area44
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity176
SMILES
C1=C(C=C(C(=C1I)O)I)C#N
InChI
InChI=1S/C7H3I2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H
InChIKey
NRXQIUSYPAHGNM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ioxynil
CAS: 1689-83-4
CID: 15530
Formula: C7H3I2NO
MW: 370.91
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight370.91
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass370.83041
Monoisotopic Mass370.83041
Topological Polar Surface Area44 Ų
Heavy Atom Count11
Formal Charge0
Complexity176
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
T32186Ioxynil
sc-228353Ioxynil-methyl
CS-K-00163Ioxynil-octanoate
F263317Pesticide Standards Mixture, 11 components, 100ug/ml each with Dicamba and Ioxynil in Acetone
LCS-1554-ACN1000 ug/mL 35-Diiodo-4-hydroxybenzonitrile (Ioxynil) Matrix:HPLCAcetonitrile Volume: 1mL Ampule *ANALYZED BY LCMS INSTRUMENTATION* - 1ML

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