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1122-82-3

1122-82-3 structural image
Product Name: CYCLOHEXYL ISOTHIOCYANATE
Formula: C7H11NS
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1231

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Corrosion
Corrosives
GHS05

Health Hazard
GHS08
GHS Hazard Statements H314:Skin corrosion/irritation
H317:Sensitisation, Skin
H334:Sensitisation, respiratory
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P272:Contaminated work clothing should not be allowed out of the workplace.
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 141.24 g/mol
XLogP3 3.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 141.06122053 g/mol
Monoisotopic Mass 141.06122053 g/mol
Topological Polar Surface Area 44.4 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 121
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