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3125-78-8

3125-78-8 structural image
Product Name: 3-CYANOPHENYL ISOTHIOCYANATE
Formula: C8H4N2S
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SAFETY INFORMATION

Signal word Danger
Pictogram(s)
GHS05
Corrosion
Corrosives
GHS05
GHS06
Skull and Crossbones
Acute Toxicity
GHS06
GHS07
Exclamation Mark
Irritant
GHS07
GHS08
Health Hazard
GHS08
GHS Hazard Statements H302:Acute toxicity,oral
H312:Acute toxicity,dermal
H314:Skin corrosion/irritation
H317:Sensitisation, Skin
H318:Serious eye damage/eye irritation
H331:Acute toxicity,inhalation
H332:Acute toxicity,inhalation
H334:Sensitisation, respiratory
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P310:Immediately call a POISON CENTER or doctor/physician.
P301+P330+P331:IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
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.
P405:Store locked up.

COMPUTED DESCRIPTORS

Molecular Weight 160.20 g/mol
XLogP3 3.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 160.00951931 g/mol
Monoisotopic Mass 160.00951931 g/mol
Topological Polar Surface Area 68.2 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 222
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