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116492-97-8

116492-97-8 structural image
Product Name: 3,3-BIS(METHYLTHIO)-2-[3-(TRIFLUOROMETHYL)BENZOYL]ACRYLONITRILE
Formula: C13H10F3NOS2
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06

Health Hazard
GHS08

Environment
GHS09
GHS Hazard Statements H373:Specific target organ toxicity, repeated exposure
H410:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P270:Do not eat, drink or smoke when using this product.
P271:Use only outdoors or in a well-ventilated area.
P311:Call a POISON CENTER or doctor/physician.
P330:Rinse mouth.
P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P405:Store locked up.
P403+P233:Store in a well-ventilated place. Keep container tightly closed.

COMPUTED DESCRIPTORS

Molecular Weight 317.4 g/mol
XLogP3 3.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 4
Exact Mass 317.01559078 g/mol
Monoisotopic Mass 317.01559078 g/mol
Topological Polar Surface Area 91.5 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 444
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