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4395-87-3

4395-87-3 structural image
Product Name: 4-ISOPROPYLPHENYLACETONITRILE
Formula: C11H13N
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SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H302:Acute toxicity,oral
H312:Acute toxicity,dermal
H331:Acute toxicity,inhalation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P405:Store locked up.

COMPUTED DESCRIPTORS

Molecular Weight 159.23 g/mol
XLogP3 2.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 2
Exact Mass 159.104799419 g/mol
Monoisotopic Mass 159.104799419 g/mol
Topological Polar Surface Area 23.8 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 167
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