Products for Research Use Only
RegisterLogin

Tembotrione

CAT: 1596-AR-T04235-02Size: 25 UnitsDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1596-AR-T04235-02Size:25 Units
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
335104-84-2
Molecular Formula
C17H16ClF3O6S
Molecular Weight
440.81
API Name
Tembotrione

Chemical Information

Tembotrione

Tembotrione is an aromatic ketone that is 2-benzoylcyclohexane-1,3-dione in which the phenyl group is substituted at positions 2, 3, and 4 by chlorine, (2,2,2-trifluoroethoxy)methyl, and methylsulfonyl groups, respectively. It is a post-emergence herbicide used (particularly in conjunction with the herbicide safener cyprosulfamide) for the control of a wide range of broad-leaved and grassy weeds in corn and other crops. It has a role as a carotenoid biosynthesis inhibitor, a herbicide, an agrochemical and an EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor. It is a beta-triketone, an ether, a sulfone, an organofluorine compound, a cyclic ketone, an aromatic ketone and a member of monochlorobenzenes.

CAS Number335104-84-2
PubChem CID11556911
IUPAC Name2-[2-chloro-4-methylsulfonyl-3-(2,2,2-trifluoroethoxymethyl)benzoyl]cyclohexane-1,3-dione
Molecular FormulaC17H16ClF3O6S
Molecular Weight440.8
XLogP2.2
Topological Polar Surface Area103
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity714
SMILES
CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl)COCC(F)(F)F
InChI
InChI=1S/C17H16ClF3O6S/c1-28(25,26)13-6-5-9(15(18)10(13)7-27-8-17(19,20)21)16(24)14-11(22)3-2-4-12(14)23/h5-6,14H,2-4,7-8H2,1H3
InChIKey
IUQAXCIUEPFPSF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tembotrione
CAS: 335104-84-2
CID: 11556911
Formula: C17H16ClF3O6S
MW: 440.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight440.8
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass440.0308216
Monoisotopic Mass440.0308216
Topological Polar Surface Area103 Ų
Heavy Atom Count28
Formal Charge0
Complexity714
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-ED-00325Tembotrione
CS-T-103557Tembotrione-d7
HY-137910R-01Tembotrione (Standard)
RM-T051301-01Tembotrione Impurity 1

Popular Products