631-57-2
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] |
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Chemical Classes | Nitrogen Compounds -> Nitriles |
SAFETY INFORMATION
Signal word | Danger |
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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 |
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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 |