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631-57-2

631-57-2 structural image
Product Name: PYRUVONITRILE
Formula: C3H3NO
Synonyms: 2-Oxopropionitrile;Acetyl cyanide
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Yellow liquid; [Sigma-Aldrich MSDS]
Chemical Classes Nitrogen Compounds -> Nitriles

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Flame
Flammables
GHS02

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H225:Flammable liquids
H315:Skin corrosion/irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
H412:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P233:Keep container tightly closed.
P273:Avoid release to the environment.
P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.

COMPUTED DESCRIPTORS

Molecular Weight 69.06 g/mol
XLogP3 -0.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 69.021463719 g/mol
Monoisotopic Mass 69.021463719 g/mol
Topological Polar Surface Area 40.9 Ų
Heavy Atom Count 5
Formal Charge 0
Complexity 86.3
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