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3-(2-CHLORO-4-METHYLBENZOYL)-4-PHENYLTHIOBICYCLO[3,2,1]OCT-2-EN-4-ONE is a complex organic chemical compound characterized by a bicyclic ring system and a ketone functional group. It features a benzoyl group, a phenylthio group, and a chloromethyl group attached to the bicyclo[3,2,1]oct-2-en-4-one ring. This unique molecular structure endows it with potential applications in various fields, including pharmaceuticals and materials science, as well as in medicinal chemistry and drug development due to its possible biological activities. However, its complex nature necessitates further research to fully explore its properties and potential uses.

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  • 3-(2-Chloro-4-methylbenzoyl)-4-phenylthiobicyclo[3,2,1]oct-2-en-4-one

    Cas No: 156963-66-5

  • USD $ 1.9-2.9 / Gram

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  • 156963-66-5 Structure
  • Basic information

    1. Product Name: 3-(2-CHLORO-4-METHYLBENZOYL)-4-PHENYLTHIOBICYCLO[3,2,1]OCT-2-EN-4-ONE
    2. Synonyms: 3-(2-CHLORO-4-METHYLBENZOYL)-4-PHENYLTHIOBICYCLO[3,2,1]OCT-2-EN-4-ONE;benzobicyclon (bsi, pa iso);BENZOBICYCLON STANDARD;Benzobicyclon [iso];Benzobicyclon, 10 μg /μL in Acetonitrile;3-(2-Chloro-4-mesylbenzoyl)-2-phenylthiobicyclo[3.2.1]oct-2-en-4-one;3-[2-Chloro-4-(methylsulfonyl)benzoyl]-4-(phenylthio)bicyclo[3.2.1]oct-3-en-2-one;Benzobicyclon 96%
    3. CAS NO:156963-66-5
    4. Molecular Formula: C22H20ClO2S
    5. Molecular Weight: 383.911
    6. EINECS: N/A
    7. Product Categories: herbicide
    8. Mol File: 156963-66-5.mol
  • Chemical Properties

    1. Melting Point: 186~190℃
    2. Boiling Point: 651.1 °C at 760 mmHg
    3. Flash Point: 347.6 °C
    4. Appearance: /
    5. Density: 1.45 g/cm3
    6. Vapor Pressure: 7.81E-17mmHg at 25°C
    7. Refractive Index: 1.67
    8. Storage Temp.: 2-8°C
    9. Solubility: N/A
    10. CAS DataBase Reference: 3-(2-CHLORO-4-METHYLBENZOYL)-4-PHENYLTHIOBICYCLO[3,2,1]OCT-2-EN-4-ONE(CAS DataBase Reference)
    11. NIST Chemistry Reference: 3-(2-CHLORO-4-METHYLBENZOYL)-4-PHENYLTHIOBICYCLO[3,2,1]OCT-2-EN-4-ONE(156963-66-5)
    12. EPA Substance Registry System: 3-(2-CHLORO-4-METHYLBENZOYL)-4-PHENYLTHIOBICYCLO[3,2,1]OCT-2-EN-4-ONE(156963-66-5)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 156963-66-5(Hazardous Substances Data)

156963-66-5 Usage

Uses

Used in Pharmaceutical Industry:
3-(2-CHLORO-4-METHYLBENZOYL)-4-PHENYLTHIOBICYCLO[3,2,1]OCT-2-EN-4-ONE is used as a pharmaceutical intermediate for the synthesis of various drugs. Its unique structure and reactivity make it a promising candidate for the development of new therapeutic agents.
Used in Materials Science:
In the field of materials science, 3-(2-CHLORO-4-METHYLBENZOYL)-4-PHENYLTHIOBICYCLO[3,2,1]OCT-2-EN-4-ONE is used as a building block for the creation of novel materials with specific properties. Its complex molecular structure allows for the design of materials with tailored characteristics for various applications.
Used in Medicinal Chemistry:
3-(2-CHLORO-4-METHYLBENZOYL)-4-PHENYLTHIOBICYCLO[3,2,1]OCT-2-EN-4-ONE is utilized as a key component in medicinal chemistry research. Its potential biological activities and unique structural features make it an interesting subject for the development of new drugs and therapeutic agents.
Used in Drug Development:
In drug development, 3-(2-CHLORO-4-METHYLBENZOYL)-4-PHENYLTHIOBICYCLO[3,2,1]OCT-2-EN-4-ONE serves as a starting point for the synthesis of new compounds with potential therapeutic effects. Its complex structure and reactivity provide opportunities for the design and optimization of novel drug candidates.

Check Digit Verification of cas no

The CAS Registry Mumber 156963-66-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,5,6,9,6 and 3 respectively; the second part has 2 digits, 6 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 156963-66:
(8*1)+(7*5)+(6*6)+(5*9)+(4*6)+(3*3)+(2*6)+(1*6)=175
175 % 10 = 5
So 156963-66-5 is a valid CAS Registry Number.
InChI:InChI=1/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

156963-66-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name benzobicyclon

1.2 Other means of identification

Product number -
Other names Benzobicyclon

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:156963-66-5 SDS

156963-66-5Upstream product

156963-66-5Downstream Products

156963-66-5Relevant articles and documents

NOXIOUS ARTHROPOD CONTROL AGENT CONTAINING AMIDE COMPOUND

-

, (2017/08/26)

An object of the present invention is to provide a compound having the controlling activity on a noxious arthropod, and a noxious arthropod controlling agent containing an amide compound of formula (I): wherein X represents a nitrogen atom or a CH group, p represents 0 or 1, A represents a tetrahydrofuranyl group or the like, R1, R2, R3, R4, R5, R6 and R7 represent a hydrogen atom or the like, n represents 1 or 2, Y represents an oxygen atom or the like, m represents any integer of 0 to 7, and Q represents a C1-8 chain hydrocarbon group optionally having a phenyl group or the like, has the excellent noxious arthropod controlling effect.

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