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Tembotrione (Standard)

CAT: 0804-HY-137910R-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-137910R-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Tembotrione (Standard) is the analytical standard of Tembotrione. This product is intended for research and analytical applications. Tembotrione is a drug that may reduce the productivity of carrots. Tembotrione has the activity of reducing carrot stem mass. Tembotrione can be used to study the total productivity of carrot [1].
CAS Number
335104-84-2
UNSPSC
12352005
Target
Herbicide; Reference Standards
Type
Reference Standards
Related Pathways
Metabolic Enzyme/Protease; Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/tembotrione-standard.html
Smiles
O=C1C(C(C2=CC=C(S(=O)(C)=O)C(COCC(F)(F)F)=C2Cl)=O)C(CCC1)=O
Molecular Formula
C17H16ClF3O6S
Molecular Weight
440.82
References & Citations
[1]Bontempo AF, et al. Residual tembotrione and atrazine in carrot. J Environ Sci Health B. 2016 Jul 2;51 (7) :465-8.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

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

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