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7612-96-6

7612-96-6 structural image
Product Name: 4-PHENYLAZOPHENYL ISOTHIOCYANATE
Formula: C13H9N3S
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SAFETY INFORMATION

Pictogram(s)

Corrosion
Corrosives
GHS05

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H302:Acute toxicity,oral
H312:Acute toxicity,dermal
H314:Skin corrosion/irritation
H318:Serious eye damage/eye irritation
H331:Acute toxicity,inhalation
Precautionary Statement Codes 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 239.30 g/mol
XLogP3 5.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 239.05171847 g/mol
Monoisotopic Mass 239.05171847 g/mol
Topological Polar Surface Area 69.2 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 296
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