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20018-09-1

20018-09-1 structural image
Product Name: Tolyl diiodomethyl sulfone
Formula: C8H8I2O2S
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Tan solid; [Reference #1] Tan odorless powder; [Dow Chemical MSDS]
Color/Form Tan powder at room temperature
Boiling Point 394 °C
Melting Point 136 °C (range of 149-152 °C)
Solubility In water, 10 mg/L at 25 °C
Density 2.20
Vapor Pressure 0.00000187 [mmHg]
LogP log Kow = 2.66
Decomposition When heated to decomposition it emits toxic vapors of /sulfur oxides/ and /iodide/.
Other Experimental Properties Stable at room temperature and at 54 °C for 2 weeks ... stable for 8 years at ambient temperature, stable for 36 months at 30 °C and for 6 months at 40 °C
Chemical Classes Other Uses -> Biocides/Disinfectants

COMPUTED DESCRIPTORS

Molecular Weight 422.02 g/mol
XLogP3 3.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 2
Exact Mass 421.83345 g/mol
Monoisotopic Mass 421.83345 g/mol
Topological Polar Surface Area 42.5 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 248
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes