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353-85-5

353-85-5 structural image
Product Name: Trifluoroacetonitrile
Formula: C2F3N
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Liquefied gas; [MSDSonline]
Kovats Retention Index 246
Chemical Classes Nitrogen Compounds -> Nitriles

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Gas Cylinder
Compressed Gases
GHS04

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H280:Gases under pressure
H330:Acute toxicity,inhalation
Precautionary Statement Codes P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P284:Wear respiratory protection.
P310:Immediately call a POISON CENTER or doctor/physician.
P410+P403:Protect from sunlight. Store in a well-ventilated place.

COMPUTED DESCRIPTORS

Molecular Weight 95.02 g/mol
XLogP3 1.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 0
Exact Mass 94.99828349 g/mol
Monoisotopic Mass 94.99828349 g/mol
Topological Polar Surface Area 23.8 Ų
Heavy Atom Count 6
Formal Charge 0
Complexity 82.7
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