Sulcotrione

The CAS register number of 1,3-Cyclohexanedione,2-[2-chloro-4-(methylsulfonyl)benzoyl]- is 99105-77-8. It also can be called as Sulcotrione and the IUPAC name about this chemical is 2-(2-chloro-4-methylsulfonylbenzoyl)cyclohexane-1,3-dione. The molecular formula about this chemical is C₁₄H₁₃ClO₅S and the molecular weight is 328.77. This chemical is a bleaching herbicide.

Physical properties about 1,3-Cyclohexanedione,2-[2-chloro-4-(methylsulfonyl)benzoyl]- are: (1)ACD/LogP: 0.21; (2)ACD/LogD (pH 5.5): -1.87; (3)ACD/LogD (pH 7.4): -2.28; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 93.73Ų; (11)Index of Refraction: 1.571; (12)Molar Refractivity: 75.71 cm³; (13)Molar Volume: 230.1 cm³; (14)Polarizability: 30.01x10^-24cm³; (15)Surface Tension: 53.7 dyne/cm; (16)Enthalpy of Vaporization: 86.07 kJ/mol; (17)Boiling Point: 574.5 °C at 760 mmHg; (18)Vapour Pressure: 3.34E-13 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause sensitization by skin contact. When you are using it, wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(cc1Cl)S(=O)(=O)C)C2C(=O)CCCC2=O
(2)InChI: InChI=1/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3
(3)InChIKey: PQTBTIFWAXVEPB-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3
(5)Std. InChIKey: PQTBTIFWAXVEPB-UHFFFAOYSA-N