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Tembotrione

CAS 263401-02-1C17H16ClF3O6SMW 440.8

Tembotrione (CAS 263401-02-1) — formula C17H16ClF3O6S, molecular weight 440.8.

Product Overview

CAS Number263401-02-1
Molecular FormulaC17H16ClF3O6S
Molecular Weight440.8
Melting Point123 °C
LogPlog Kow = -1.37 (pH 9.0, 23 °C); -1.09 (pH 7, 24 °C); 2.16 (pH 2.0, 23 °C)

Technical Profile

What this product is

Tembotrione is a chemical compound with CAS registry number 263401-02-1 and molecular formula C17H16ClF3O6S (molecular weight 440.8).

Identification

CAS number: 263401-02-1

Its molecular formula C17H16ClF3O6S comprises 17 C, 16 H, 1 Cl, 3 F, 6 O, 1 S atoms.

Also known as: Tembotrione · 环草酮

Frequently Asked Questions

What is the CAS number of Tembotrione?

The CAS registry number of Tembotrione is 263401-02-1.

What is the molecular formula and molecular weight of Tembotrione?

Molecular formula C17H16ClF3O6S, molecular weight 440.8.

What other names is Tembotrione known by?

It is also registered under: Tembotrione, 环草酮.

PubChem Public Data

Independent reference data for Tembotrione (CAS 263401-02-1), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number263401-02-1
PubChem CID11556911
Molecular formulaC17H16ClF3O6S
IUPAC name2-[2-chloro-4-methylsulfonyl-3-(2,2,2-trifluoroethoxymethyl)benzoyl]cyclohexane-1,3-dione
UNII (FDA)WA5UZ202KS

Computed descriptors

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
Heavy Atom Count28

Physicochemical values on record

Melting Point123 °C
Melting PointMP: 117 °C
Density1.56 at 20 °C
Vapor Pressure1.1X10-5 mPa (20 °C) /SRC: 8.3X10-11mm Hg at 20 °C/
LogPlog Kow = -1.37 (pH 9.0, 23 °C); -1.09 (pH 7, 24 °C); 2.16 (pH 2.0, 23 °C)
pHpH 3.63 at 24 °C
Dissociation ConstantspKa = 3.2

Documented uses on record

    Herbicides (benzoylcyclohexanedione herbicides)Applied post-emergence to control a wide range of dicotyledonous and moncotyledonous weed species in maize

    Synonyms and trade names

    Tembotrione; 335104-84-2; DTXSID5047037; 2-[2-chloro-4-methylsulfonyl-3-(2,2,2-trifluoroethoxymethyl)benzoyl]cyclohexane-1,3-dione; WA5UZ202KS; 2-[2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl]-1,3-cyclohexanedione; AE-0172747; DTXCID3027037; CHEBI:132273; 2-(2-CHLORO-4-MESYL-3-((2,2,2-TRIFLUOROETHOXY)METHYL)BENZOYL)CYCLOHEXANE-1,3-DIONE; 2-{2-Chloro-4-mesyl-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl}cyclohexane-1,3-dione; 2-(2-CHLORO-4-(METHYLSULFONYL)-3-((2,2,2-TRIFLUOROETHOXY)METHYL)BENZOYL)-1,3-CYCLOHEXANEDIONE; 2-(2-chloro-4-methylsulfonyl-3-(2,2,2-trifluoroethoxymethyl)benzoyl)cyclohexane-1,3-dione; RefChem:187796; 608-879-8; Tembotrione [ISO]

    GHS hazard classification

    Reported hazard statementsH317, H373, H400, H410, H361 (19%)

    H317: May cause an allergic skin reaction [Warning Sensitization, Skin]

    H361d: Suspected of damaging the unborn child [Warning Reproductive toxicity]

    What the public record says

    Tembotrione · CAS 263401-02-1 · C17H16ClF3O6S. UNII WA5UZ202KS. Melting Point: 123 °C; Melting Point: MP: 117 °C; Density: 1.56 at 20 °C.

    Physical description and handling notes

    Source: PubChem / Wikidata; the batch COA governs where values differ.

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