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Trichlorfon

CAT: 0926-FT159085-03Size: 25 gDry Ice: NoHazardous: No
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CAT#:0926-FT159085-03Size:25 g
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CAS Number
52-68-6
Synonyms
Metrifonate; (2,2,2-Trichloro-1-hydroxyethyl) phosphonic acid dimethyl ester
MDL Number
MFCD00055272
Smiles
COP (=O) (C (C (Cl) (Cl) Cl) O) OC
Molecular Formula
C4H8Cl3O4P
Molecular Weight
257.44 g/mol
Controlled
No

Chemical Information

Trichlorfon

Trichlorfon is a phosphonic ester that is dimethyl phosphonate in which the hydrogen atom attched to the phosphorous is substituted by a 2,2,2-trichloro-1-hydroxyethyl group. It has a role as an insecticide, an agrochemical, an anthelminthic drug, an EC 3.1.1.8 (cholinesterase) inhibitor and an EC 3.1.1.7 (acetylcholinesterase) inhibitor. It is an organochlorine compound, an organic phosphonate and a phosphonic ester.

CAS Number52-68-6
PubChem CID5853
IUPAC Name2,2,2-trichloro-1-dimethoxyphosphorylethanol
Molecular FormulaC4H8Cl3O4P
Molecular Weight257.43
XLogP0.5
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity183
SMILES
COP(=O)(C(C(Cl)(Cl)Cl)O)OC
InChI
InChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3
InChIKey
NFACJZMKEDPNKN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Trichlorfon
CAS: 52-68-6
CID: 5853
Formula: C4H8Cl3O4P
MW: 257.43
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight257.43
XLogP30.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass255.922579
Monoisotopic Mass255.922579
Topological Polar Surface Area55.8 Ų
Heavy Atom Count12
Formal Charge0
Complexity183
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
67506309-100mgTrichlorfon
TRC-T773855-5GTrichlorfon (>90%)
T34930-01Trichlorfon ethyl
AR-T05889-01Trichlorfon-d6
TRC-T145196-50MGTrichlorfon Dimethyl D6

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