3-(2-CHLORO-4-METHYLBENZOYL)-4-PHENYLTHIOBICYCLO[3,2,1]OCT-2-EN-4-ONE , 0.95&0.99 , 156963-66-5

CAS NO.：156963-66-5

Empirical Formula: C22H19ClO4S2

Molecular Weight: 446.97

MDL number: MFCD29050502

PRODUCT 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)

Description and Uses

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