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Jodfenphos

CAT: 0572-TRC-J211988-2.5GSize: 2.5 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-J211988-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
18181-70-9
Hazard Statement
Toxic in contact with skin; UN number: UN2783; Packing Group: II
Smiles
COP(=S)(OC)Oc1cc(Cl)c(I)cc1Cl
Molecular Formula
C8 H8 Cl2 I O3 P S
Molecular Weight
413
InChI
InChI=1S/C8H8Cl2IO3PS/c1-12-15(16,13-2)14-8-4-5(9)7(11)3-6(8)10/h3-4H,1-2H3
Additionnal Information
IUPAC name: (2,5-dichloro-4-iodophenoxy)-dimethoxy-sulfanylidene-λ^{5}-phosphane
Shipping Conditions
Room Temperature

Chemical Information

Iodofenphos

Iodofenphos is an organic thiophosphate.

CAS Number18181-70-9
PubChem CID28935
IUPAC Name(2,5-dichloro-4-iodophenoxy)-dimethoxy-sulfanylidene-lambda5-phosphane
Molecular FormulaC8H8Cl2IO3PS
Molecular Weight413.00
XLogP5.5
Topological Polar Surface Area59.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity276
SMILES
COP(=S)(OC)OC1=CC(=C(C=C1Cl)I)Cl
InChI
InChI=1S/C8H8Cl2IO3PS/c1-12-15(16,13-2)14-8-4-5(9)7(11)3-6(8)10/h3-4H,1-2H3
InChIKey
LFVLUOAHQIVABZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Iodofenphos
CAS: 18181-70-9
CID: 28935
Formula: C8H8Cl2IO3PS
MW: 413.00
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight413.00
XLogP35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass411.83536
Monoisotopic Mass411.83536
Topological Polar Surface Area59.8 Ų
Heavy Atom Count16
Formal Charge0
Complexity276
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
452881-01Jodfenphos

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