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80-00-2

80-00-2 structural image
Product Name: Sulfenone
Formula: C12H9ClO2S
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Colorless or white solid; [HSDB] White powder; [MSDSonline]
Color/Form Dimorphic crystals
Odor Slight aromatic odor
Taste Tasteless
Melting Point 98 °C
Solubility At 20 °C acetone (74.4 g/100mL), toluene (44.4 g/100mL), dioxane (65.6 g/100mL), isopropanol (21 g/100mL), hexane 0.4 g/100mL), xylene (18.2 g/100mL), carbon tetrachloride (4.9 g/100mL); slightly soluble in pet ether.
Vapor Pressure 0.0000039 [mmHg]
LogP log Kow = 3.25 /Estimated/
Henry's Law Constant Henry's Law constant = 1.9X10-7 atm-cu/mole at 25 °C /Estimated/
Stability/Shelf Life Stable to oxidizing and reducing agents, acids, and alkalies found in spray formulations.
Decomposition When heated to decomposition it emits very toxic fumes of /hydrogen chloride and sulfur oxides/.
Kovats Retention Index 2033 2012.7 2034.9
Other Experimental Properties Dimorphic crystals; mp 94 °C.
Chemical Classes Pesticides -> Organochlorine Pesticides

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

COMPUTED DESCRIPTORS

Molecular Weight 252.72 g/mol
XLogP3 3.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 2
Exact Mass 252.0011784 g/mol
Monoisotopic Mass 252.0011784 g/mol
Topological Polar Surface Area 42.5 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 306
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