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115-31-1

115-31-1 structural image
Product Name: ISOBORNYL THIOCYANOACETATE
Formula: C13H19NO2S
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Technical grade: Yellow oily liquid; Contains up to 18% other terpenes; [Merck Index] Yellow, reddish-yellow, or amber liquid; [HSDB]
Color/Form CLEAR, AMBER LIQUID
Odor Terpene-like odor
Boiling Point 95 °C @ 0.06 mm Hg
Flash Point 82 °C ; 180 °F /TECHNICAL PRODUCT/
Solubility Very soluble in alcohol, benzene, chloroform, ether; practically insoluble in water.
Density 1.1465 @ 25 °C/4 °C
Vapor Pressure 0.000025 [mmHg]
Stability/Shelf Life IT IS STABLE UNDER NORMAL STORAGE CONDITIONS.
Decomposition When heated to decomp it emits very toxic fumes of NOx and SOx /nitrogen oxides and sulfur oxides/.
Corrosivity SOMEWHAT CORROSIVE TO GALVANIZED IRON
Refractive Index Index of refraction = 1.512 @ 25 °C/D
Other Experimental Properties Stable under normal storage conditions.
Chemical Classes Pesticides -> Other Insecticides

COMPUTED DESCRIPTORS

Molecular Weight 253.36 g/mol
XLogP3 4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 253.11365002 g/mol
Monoisotopic Mass 253.11365002 g/mol
Topological Polar Surface Area 75.4 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 384
Isotope Atom Count 0
Defined Atom Stereocenter Count 3
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes