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4430-45-9

4430-45-9 structural image
Product Name: OCTYL ISOTHIOCYANATE
Formula: C9H17NS
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1354

SAFETY INFORMATION

Signal word Danger
Pictogram(s)
GHS05
Corrosion
Corrosives
GHS05
GHS06
Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H301:Acute toxicity,oral
H314:Skin corrosion/irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P270:Do not eat, drink or smoke when using this product.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 171.31 g/mol
XLogP3 5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 7
Exact Mass 171.10817072 g/mol
Monoisotopic Mass 171.10817072 g/mol
Topological Polar Surface Area 44.4 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 117
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