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Fomesafen

CAT: 0572-TRC-F680403-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-F680403-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
72178-02-0
Hazard Statement
Harmful if swallowed; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
CS(=O)(=O)NC(=O)c1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+](=O)[O-]
Molecular Formula
C15 H10 Cl F3 N2 O6 S
Molecular Weight
438.76
InChI
InChI=1S/C15H10ClF3N2O6S/c1-28(25,26)20-14(22)10-7-9(3-4-12(10)21(23)24)27-13-5-2-8(6-11(13)16)15(17,18)19/h2-7H,1H3,(H,20,22)
Additionnal Information
IUPAC name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-methylsulfonyl-2-nitrobenzamide
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Fomesafen

Fomesafen is an N-sulfonylcarboxamide that is N-(methylsulfonyl)benzamide in which the phenyl ring is substituted by a nitro group at position 2 and a 2-chloro-4-(trifluoromethyl)phenoxy group at position 5. A protoporphyrinogen oxidase inhibitor, it was specially developed for use (generally as the corresponding sodium salt, fomesafen-sodium) for post-emergence control of broad-leaf weeds in soya. It has a role as a herbicide, an agrochemical and an EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor. It is a member of phenols, an aromatic ether, a C-nitro compound, an organofluorine compound, a member of monochlorobenzenes and a N-sulfonylcarboxamide. It is a conjugate acid of a fomesafen(1-).

CAS Number72178-02-0
PubChem CID51556
IUPAC Name5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-methylsulfonyl-2-nitrobenzamide
Molecular FormulaC15H10ClF3N2O6S
Molecular Weight438.8
XLogP2.4
Topological Polar Surface Area127
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity693
SMILES
CS(=O)(=O)NC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]
InChI
InChI=1S/C15H10ClF3N2O6S/c1-28(25,26)20-14(22)10-7-9(3-4-12(10)21(23)24)27-13-5-2-8(6-11(13)16)15(17,18)19/h2-7H,1H3,(H,20,22)
InChIKey
BGZZWXTVIYUUEY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fomesafen
CAS: 72178-02-0
CID: 51556
Formula: C15H10ClF3N2O6S
MW: 438.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight438.8
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass437.9900194
Monoisotopic Mass437.9900194
Topological Polar Surface Area127 Ų
Heavy Atom Count28
Formal Charge0
Complexity693
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
CS-AJ-00009Fomesafen
HY-B2010RFomesafen (Standard)
CS-O-47488Fomesafen D3
HY-B2010S-01Fomesafen-d3
AR-F01971-01Fomesafen Impurity 1
AR-F01972-01Fomesafen Impurity 2

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