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Fenitrothion-d6

CAT: 0572-TRC-F247852-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-F247852-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
203645-59-4
Synonyms
Phosphorothioic acid, O,O-di(methyl-d3) O-(3-methyl-4-nitrophenyl) ester (9CI); Fenitrothion D6 (O,O-dimethyl D6)
Hazard Statement
Toxic if swallowed; UN number: UN3018; Packing Group: III
Purity
>95% (HPLC)
Smiles
[2H]C([2H])([2H])OP(=S)(Oc1ccc(c(C)c1)[N+](=O)[O-])OC([2H])([2H])[2H]
Molecular Formula
C9 2H6 H6 N O5 P S
Molecular Weight
283.27
InChI
InChI=1S/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3/i2D3,3D3
Additionnal Information
IUPAC name: (3-methyl-4-nitrophenoxy)-sulfanylidene-bis(trideuteriomethoxy)-λ^{5}-phosphane
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Fenitrothion-d6
CAS Number203645-59-4
PubChem CID45039249
IUPAC Name(3-methyl-4-nitrophenoxy)-sulfanylidene-bis(trideuteriomethoxy)-lambda5-phosphane
Molecular FormulaC9H12NO5PS
Molecular Weight283.27
XLogP3.3
Topological Polar Surface Area106
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count17
Formal Charge0
Complexity313
SMILES
[2H]C([2H])([2H])OP(=S)(OC1=CC(=C(C=C1)[N+](=O)[O-])C)OC([2H])([2H])[2H]
InChI
InChI=1S/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3/i2D3,3D3
InChIKey
ZNOLGFHPUIJIMJ-XERRXZQWSA-N
Chemical Structure
2D Structure
2D structure of Fenitrothion-d6
CAS: 203645-59-4
CID: 45039249
Formula: C9H12NO5PS
MW: 283.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight283.27
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass283.05504113
Monoisotopic Mass283.05504113
Topological Polar Surface Area106 Ų
Heavy Atom Count17
Formal Charge0
Complexity313
Isotope Atom Count6
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-B1885S-01Fenitrothion-d6
HY-119788SFenitrothion oxon-d6
TMIJ-0481-01Fenitrothion-d6 (O, O-dimethyl-d6)
276194-01Fenitrothion
70-1072Fenitrothion antibody
HY-B1885RFenitrothion (Standard)
CS-AZ-00169Fenitrothion-oxon
MBS6014929-01Fenitrothion-d6 (Phosphorothioic Acid O,O-Dimethyl-d6 O-(3-Methyl-4-nitrophenyl)ester, MEP-d6, Methation-d6, Bayer 41831-d6)
K40sRabbit anti Fenitrothion
F0045-96LFenitrothion-d6 (Phosphorothioic Acid O, O-Dimethyl-d6 O- (3-Methyl-4-nitrophenyl) ester, MEP-d6, Methation-d6, Bayer 41831-d6)

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