Benzobicyclon - ≥98% , CAS No.156963-66-5

CAS: 156963-66-5 Cat. No.: B647050 Fórmula: C22H19ClO4S2 Peso molecular: 446.97 Número EC: 605-078-5 PubChem CID: 11236201
Disponible para pedir
GRADE & PURITY ≥98%
Synonyms
DTXSID3057987 | MS-28086 | 3-(2-chloro-4-methylsulfonylbenzoyl)-4-phenylsulfanylbicyclo[3.2.1]oct-3-en-2-one | 3-(2-chloro-4-methylsulfonyl-benzoyl)-2-phenylsulfanyl-bicyclo[3.2.1]oct-2-en-4-one | Bicyclo[3.2.1]oct-3-en-2-one, 3-[2-chloro-4-(methylsulfony
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
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Size
Alemania (EU)
USA*
Price
Qty
1mg
B647050-1mg
Fabricado bajo pedido · 8–12 semanas
96,23€
5mg
B647050-5mg
Fabricado bajo pedido · 8–12 semanas
165,65€
10mg
B647050-10mg
Fabricado bajo pedido · 8–12 semanas
261,10€
50mg
B647050-50mg
Fabricado bajo pedido · 8–12 semanas
608,20€
100mg
B647050-100mg
Fabricado bajo pedido · 8–12 semanas
1.128,84€
Enter a quantity for the sizes you want to add.
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Descripción general

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

Specifications

Sinónimos
DTXSID3057987 | MS-28086 | 3-(2-chloro-4-methylsulfonylbenzoyl)-4-phenylsulfanylbicyclo[3.2.1]oct-3-en-2-one | 3-(2-chloro-4-methylsulfonyl-benzoyl)-2-phenylsulfanyl-bicyclo[3.2.1]oct-2-en-4-one | Bicyclo[3.2.1]oct-3-en-2-one, 3-[2-chloro-4-(methylsulfony
Especificaciones y pureza
≥98%
Mecanismos bioquímicos y fisiológicos
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
Condiciones de almacenamiento de almacenamiento
Store at -20°C
Enviado en
Ice chest + Ice pads
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Pureza
≥98%
Nombres e identificadores
Sonrisas canónicas
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
Isómeros SMILES
CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2=C(C3CCC(C3)C2=O)SC4=CC=CC=C4)Cl
CAS alternativo
156963-66-5
PubChem CID
11236201
Términos de entrada MeSH
3-(2-chloro-4-(methylsulfonyl)benzoyl)-4-(phenylthio)-bicyclo(3.2.1)oct-3-en-2-one;benzobicyclon
Peso molecular
446.97

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClaseBenzene and substituted derivatives
SubclassBenzenesulfonyl compounds
Intermediate Tree Nodes Not available
Direct ParentBenzenesulfonyl 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 FrameworkAromatic 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
DescripciónThis 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
Estructura 3D
Modelo de Estructura Química Interactiva





Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
SolubilidadDMSO : 16.67 mg/mL (37.30 mM; Need ultrasonic)
Peso molecular447.000 g/mol
XLogP34.400
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass446.041 Da
Monoisotopic Mass446.041 Da
Topological Polar Surface Area102.000 Ų
Heavy Atom Count29
Formal Charge0
Complexity807.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
Reseñas

Reseñas de cliente

Preguntas frecuentes

What is the purity of this product?
This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.
How should this product be stored?
Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.
How is this product shipped?
This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 156963-66-5, the molecular formula is C22H19ClO4S2, and the molecular weight is 446.97 g/mol. InChIKey VIXCLRUCUMWJFF-UHFFFAOYSA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

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