≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Benzobicyclon is a 4-HPPD inhibitor and herbicide that reacts with water to form a hydrolysate of the active herbicide benzobicycline, causing bleaching and death of weeds. Benzobicyclon is effective against grass, sedge and broadleaf weeds. Benzobicyclon effectively targets sulfonylurea herbicide-resistant biotypes as well as wild-type weeds
In Vitro
Benzobicyclon (100-300 g a.i./ha; 1 L or 2 L) exhibits excellent herbicidal activity against S. juncoides regardless of the emergence depth between 0 and 3 cm and (200-300 g a.i./ha; pre-emergence; 1 L) hardly affected by the soil types. Benzobicyclon (300 g a.i./ha; 1-leaf and 1 L stages) completely controls S. juncoides at 25°C, 20°C, and 15°C, and takes longer to reach 90% control at low temperatures. Benzobicyclon (200, 300 g a.i./ha; pre-emergence and 1 L stages) exhibits excellent herbicidal activity against all SU-R biotypes S. juncoides , M. vaginalis and L. dubia as well as SU-S biotypes. (SU-S: sulfonylurea herbicide-susceptible, SU-R: sulfonylurea herbicide-resistant). Benzobicyclon (200-600 g a.i./ha; pre-emergence and 1 L stages) exhibits excellent herbicidal activity against E. crus-galli , S. juncoides , M. vaginalis , L. var. dubia and C. serotinus and shows good rice crop safety. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Viability AssayCell Line: S. juncoides Concentration: 200, 300 g a.i./ha Incubation Time: pre-emergence and 1 L stages Result: Completely controlled S. juncoides in 5 types of paddy soils, namely, clay loam, loam, light clay, sandy loam, and heavy clay. Cell Viability AssayCell Line: S. juncoides Concentration: 300 g a.i./ha Incubation Time: 1-leaf and 1 L stages Result: Showed 90% control at 25°C, 20°C, and 15°C at 14, 22, and 32 days after application, respectively. Cell Viability AssayCell Line: S. juncoides , M. vaginalis , L. dubia Concentration: 200, 300 g a.i./ha Incubation Time: Pre-emergence and 1 L stages Result: Showed good herbicidal activity against all SU-R biotypes tested as well as SU-susceptible biotypes. Cell Viability AssayCell Line: Transplanted rice (3 cm) Concentration: 200-600 g a.i./ha Incubation Time: Pre-emergence and 1 L stages Result: Exhibited excellent herbicidal activity and broad-herbicidal spectrum without causing injury to transplanted rice.
Form:Solid
IC50& Target:4-HPPD
| Canonical Smiles | CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2=C(C3CCC(C3)C2=O)SC4=CC=CC=C4)Cl |
|---|---|
| IUPAC Name | 3-(2-chloro-4-methylsulfonylbenzoyl)-4-phenylsulfanylbicyclo[3.2.1]oct-3-en-2-one |
| InChIKey | VIXCLRUCUMWJFF-UHFFFAOYSA-N |
| INCHI | 1S/C22H19ClO4S2/c1-29(26,27)16-9-10-17(18(23)12-16)21(25)19-20(24)13-7-8-14(11-13)22(19)28-15-5-3-2-4-6-15/h2-6,9-10,12-14H,7-8,11H2,1H3 |
| Isomeric SMILES | CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2=C(C3CCC(C3)C2=O)SC4=CC=CC=C4)Cl |
| Alternate CAS | 156963-66-5 |
| PubChem CID | 11236201 |
| MeSH Entry Terms | 3-(2-chloro-4-(methylsulfonyl)benzoyl)-4-(phenylthio)-bicyclo(3.2.1)oct-3-en-2-one;benzobicyclon |
| Molecular Weight | 446.97 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzenesulfonyl compounds |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzenesulfonyl compounds |
| Alternative Parents | Benzoyl derivatives Aryl thioethers Aryl ketones Cyclohexenones Chlorobenzenes Vinylogous thioesters Aryl chlorides Vinylogous halides Sulfones Thioenol ethers Sulfenyl compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Benzenesulfonyl group - Aryl thioether - Benzoyl - Aryl ketone - Chlorobenzene - Cyclohexenone - Halobenzene - Aryl chloride - Aryl halide - Vinylogous thioester - Sulfonyl - Sulfone - Vinylogous halide - Thioenolether - Ketone - Sulfenyl compound - Organosulfur compound - Organooxygen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzenesulfonyl compounds. These are aromatic compounds containing a benzenesulfonyl group, which consists of a monocyclic benzene moiety that carries a sulfonyl group. |
| External Descriptors | Pesticides |
| Solubility | DMSO : 16.67 mg/mL (37.30 mM; Need ultrasonic) |
|---|---|
| Molecular Weight | 447.000 g/mol |
| XLogP3 | 4.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 446.041 Da |
| Monoisotopic Mass | 446.041 Da |
| Topological Polar Surface Area | 102.000 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 807.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
