3-(2-CHLORO-4-METHYLBENZOYL)-4-PHENYLTHIOBICYCLO[3,2,1]OCT-2-EN-4-ONE Chemical Properties

Melting point:

186～190℃

Boiling point:

651.1±55.0 °C(Predicted)

Density 

1.45±0.1 g/cm3(Predicted)

storage temp. 

2-8°C

solubility 

Soluble in DMSO

form 

Solid

color 

Light yellow to brown

InChI

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

InChIKey

VIXCLRUCUMWJFF-UHFFFAOYSA-N

SMILES

C12CC(CC1)C(SC1=CC=CC=C1)=C(C(=O)C1=CC=C(S(C)(=O)=O)C=C1Cl)C2=O

EPA Substance Registry System

Benzobicyclon (156963-66-5)

3-(2-CHLORO-4-METHYLBENZOYL)-4-PHENYLTHIOBICYCLO[3,2,1]OCT-2-EN-4-ONE Usage And Synthesis

Uses

Benzobicyclon is used in the development and application of multi-residue method to determine pesticides in agricultural water.

Definition

ChEBI: 3-[2-chloro-4-(methylsulfonyl)benzoyl]-4-(phenylthio)bicyclo[3.2.1]oct-3-en-2-one is a carbobicyclic compound that is bicyclo[3.2.1]oct-3-en-2-one which is substituted at positions 3 and 4 by 2-chloro-4-(methylsulfonyl)benzoyl and phenylthio groups, respectively. It is a carbobicyclic compound, a cyclic ketone, an organic sulfide, a sulfone, a member of monochlorobenzenes and an aromatic ketone.

3-(2-CHLORO-4-METHYLBENZOYL)-4-PHENYLTHIOBICYCLO[3,2,1]OCT-2-EN-4-ONE(156963-66-5)Related Product Information

• (+/-)-cis-Bicyclo[3.2.0]hept-2-en-6-one
• 2-Ketoglutaric acid
• CYCLOPENTYL 2-(4-METHYLPHENYL)ETHYL KETONE
• 3-(2-CHLORO-4-METHYLBENZOYL)-4-PHENYLTHIOBICYCLO[3,2,1]OCT-2-EN-4-ONE
• BICYCLO[3.2.1]-2-OCTENE
• 2-Cyclohepten-1-one
• CYCLOPENTYL 2-(4-THIOMETHYLPHENYL)ETHYL KETONE