CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Insoluble in water (624 mg/L at 25 deg C); [ChemIDplus] Colorless liquid; [MSDSonline] |
|---|---|
| Vapor Pressure | 0.72 [mmHg] |
| Kovats Retention Index | 949 945 961 |
| Chemical Classes | Nitrogen Compounds -> Nitriles |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Skull and Crossbones Acute Toxicity GHS06 |
| GHS Hazard Statements |
H226:Flammable liquids H302:Acute toxicity,oral H312:Acute toxicity,dermal H331:Acute toxicity,inhalation |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P405:Store locked up. |
COMPUTED DESCRIPTORS
| Molecular Weight | 111.18 g/mol |
|---|---|
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 4 |
| Exact Mass | 111.104799419 g/mol |
| Monoisotopic Mass | 111.104799419 g/mol |
| Topological Polar Surface Area | 23.8 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 77.6 |
| 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 |