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Imazalil Sulfate

CAT: 0572-TRC-I268500-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-I268500-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
58594-72-2
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
OS(=O)(=O)O.Clc1ccc(C(Cn2ccnc2)OCC=C)c(Cl)c1
Molecular Formula
C14 H14 Cl2 N2 O . H2 O4 S
Molecular Weight
395.26
InChI
InChI=1S/C14H14Cl2N2O.H2O4S/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16;1-5(2,3)4/h2-6,8,10,14H,1,7,9H2;(H2,1,2,3,4)
Additionnal Information
IUPAC name: 1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole;sulfuric acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Imazalil sulfate

Enilconazole (synonyms imazalil, chloramizole) is a fungicide widely used in agriculture, particularly in the growing of citrus fruits. Trade names include Freshgard, Fungaflor, and Nuzone.

CAS Number58594-72-2
PubChem CID173636
IUPAC Name1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole;sulfuric acid
Molecular FormulaC14H16Cl2N2O5S
Molecular Weight395.3
Topological Polar Surface Area110
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity372
SMILES
C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl.OS(=O)(=O)O
InChI
InChI=1S/C14H14Cl2N2O.H2O4S/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16;1-5(2,3)4/h2-6,8,10,14H,1,7,9H2;(H2,1,2,3,4)
InChIKey
XVTXMTOYQVRHSK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Imazalil sulfate
CAS: 58594-72-2
CID: 173636
Formula: C14H16Cl2N2O5S
MW: 395.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight395.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass394.0156982
Monoisotopic Mass394.0156982
Topological Polar Surface Area110 Ų
Heavy Atom Count24
Formal Charge0
Complexity372
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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